m01.1___Indazole
                    3D
 Schrodinger Suite 2021-4.
 15 16  0  0  1  0            999 V2000
   -0.0277    1.3580    0.0107 C   0  0  0  0  0  0
    1.1827    2.0817    0.0023 C   0  0  0  0  0  0
    2.4068    1.4520   -0.0137 C   0  0  0  0  0  0
   -0.0358   -0.0181    0.0032 C   0  0  0  0  0  0
    3.3961   -0.8568   -0.0368 N   0  0  0  0  0  0
    2.9367   -2.1189   -0.0392 N   0  0  0  0  0  0
    1.6229   -2.0394   -0.0254 C   0  0  0  0  0  0
    1.1954   -0.6873   -0.0132 C   0  0  0  0  0  0
    2.3946    0.0548   -0.0214 C   0  0  0  0  0  0
   -0.9645    1.9025    0.0235 H   0  0  0  0  0  0
    1.1456    3.1652    0.0087 H   0  0  0  0  0  0
    3.3351    2.0103   -0.0202 H   0  0  0  0  0  0
   -0.9672   -0.5725    0.0096 H   0  0  0  0  0  0
    4.3884   -0.6838   -0.0462 H   0  0  0  0  0  0
    1.0229   -2.9370   -0.0243 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  2  0  0  0
  1 10  1  0  0  0
  2  3  2  0  0  0
  2 11  1  0  0  0
  3  9  1  0  0  0
  3 12  1  0  0  0
  4  8  1  0  0  0
  4 13  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 14  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 15  1  0  0  0
  8  9  2  0  0  0
M  END
$$$$
m01.2___Indazole
                    3D
 Schrodinger Suite 2021-4.
 15 16  0  0  1  0            999 V2000
   -0.0356    1.3647    0.0107 C   0  0  0  0  0  0
    1.1817    2.0965    0.0025 C   0  0  0  0  0  0
    2.4006    1.4749   -0.0129 C   0  0  0  0  0  0
   -0.0451   -0.0035    0.0033 C   0  0  0  0  0  0
    3.4811   -0.7558   -0.0354 N   0  0  0  0  0  0
    2.9382   -1.9740   -0.0369 N   0  0  0  0  0  0
    1.6029   -2.0047   -0.0240 C   0  0  0  0  0  0
    1.1957   -0.6726   -0.0127 C   0  0  0  0  0  0
    2.4171    0.0651   -0.0206 C   0  0  0  0  0  0
   -0.9719    1.9105    0.0232 H   0  0  0  0  0  0
    1.1361    3.1798    0.0087 H   0  0  0  0  0  0
    3.3253    2.0403   -0.0191 H   0  0  0  0  0  0
   -0.9758   -0.5591    0.0096 H   0  0  0  0  0  0
    1.0552   -2.9334   -0.0238 H   0  0  0  0  0  0
    3.5437   -2.7826   -0.0472 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  2  0  0  0
  1 10  1  0  0  0
  2  3  2  0  0  0
  2 11  1  0  0  0
  3  9  1  0  0  0
  3 12  1  0  0  0
  4  8  1  0  0  0
  4 13  1  0  0  0
  5  6  1  0  0  0
  5  9  2  0  0  0
  6  7  1  0  0  0
  6 15  1  0  0  0
  7  8  2  0  0  0
  7 14  1  0  0  0
  8  9  1  0  0  0
M  END
$$$$
m02.1___Adenine
                    3D
 Schrodinger Suite 2021-4.
 15 16  0  0  1  0            999 V2000
   -0.0005    1.3337    0.0091 N   0  0  0  0  0  0
    0.0743    0.0028    0.0018 C   0  0  0  0  0  0
    1.1504   -0.7710   -0.0124 N   0  0  0  0  0  0
    1.1389    2.0439    0.0016 C   0  0  0  0  0  0
    3.6711    1.7547   -0.0251 N   0  0  0  0  0  0
    2.3553    1.3435   -0.0141 C   0  0  0  0  0  0
    2.2706   -0.0425   -0.0198 C   0  0  0  0  0  0
    3.5640   -0.4735   -0.0341 N   0  0  0  0  0  0
    4.3506    0.6370   -0.0366 C   0  0  0  0  0  0
    1.0722    3.3781    0.0096 N   0  0  0  0  0  0
   -0.8806   -0.5134    0.0085 H   0  0  0  0  0  0
    3.8852   -1.4304   -0.0415 H   0  0  0  0  0  0
    5.4274    0.5608   -0.0471 H   0  0  0  0  0  0
    0.1760    3.8344    0.0205 H   0  0  0  0  0  0
    1.9103    3.9326    0.0044 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  7  2  0  0  0
  4  6  2  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  5  9  2  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 13  1  0  0  0
 10 14  1  0  0  0
 10 15  1  0  0  0
M  END
$$$$
m02.2___Adenine
                    3D
 Schrodinger Suite 2021-4.
 15 16  0  0  1  0            999 V2000
   -0.0070    1.3471    0.0028 N   0  0  0  0  0  0
    0.0747    0.0131    0.0018 C   0  0  0  0  0  0
    1.1491   -0.7546   -0.0078 N   0  0  0  0  0  0
    1.1266    2.0593   -0.0078 C   0  0  0  0  0  0
    3.6603    1.6734   -0.0286 N   0  0  0  0  0  0
    2.3289    1.3439   -0.0180 C   0  0  0  0  0  0
    2.2913   -0.0466   -0.0175 C   0  0  0  0  0  0
    3.5644   -0.5537   -0.0278 N   0  0  0  0  0  0
    4.3395    0.5091   -0.0340 C   0  0  0  0  0  0
    1.0601    3.3965   -0.0177 N   0  0  0  0  0  0
   -0.8810   -0.5021    0.0106 H   0  0  0  0  0  0
    5.4189    0.4903   -0.0427 H   0  0  0  0  0  0
    0.1620    3.8461    0.0385 H   0  0  0  0  0  0
    1.8929    3.9580    0.0283 H   0  0  0  0  0  0
    4.0689    2.5961   -0.0325 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  2  0  0  0
  2  3  2  0  0  0
  2 11  1  0  0  0
  3  7  1  0  0  0
  4  6  1  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 15  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 12  1  0  0  0
 10 13  1  0  0  0
 10 14  1  0  0  0
M  END
$$$$
m02.3___Adenine
                    3D
 Schrodinger Suite 2021-4.
 15 16  0  0  1  0            999 V2000
   -0.0135    1.3340    0.0092 N   0  0  0  0  0  0
    0.0490    0.0296    0.0018 C   0  0  0  0  0  0
    1.1781   -0.6850   -0.0127 N   0  0  0  0  0  0
    1.1392    2.0538    0.0019 C   0  0  0  0  0  0
    3.6646    1.7973   -0.0242 N   0  0  0  0  0  0
    2.3640    1.3784   -0.0137 C   0  0  0  0  0  0
    2.3641   -0.0171   -0.0207 C   0  0  0  0  0  0
    3.6007   -0.5043   -0.0350 N   0  0  0  0  0  0
    4.3205    0.6431   -0.0360 C   0  0  0  0  0  0
    1.0364    3.3792    0.0103 N   0  0  0  0  0  0
   -0.8713   -0.5408    0.0075 H   0  0  0  0  0  0
    5.4023    0.6102   -0.0463 H   0  0  0  0  0  0
    0.1283    3.8129    0.0210 H   0  0  0  0  0  0
    1.8613    3.9545    0.0056 H   0  0  0  0  0  0
    1.1355   -1.6967   -0.0179 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  7  1  0  0  0
  3 15  1  0  0  0
  4  6  2  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  5  9  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 12  1  0  0  0
 10 13  1  0  0  0
 10 14  1  0  0  0
M  END
$$$$
m02.4___Adenine
                    3D
 Schrodinger Suite 2021-4.
 15 16  0  0  1  0            999 V2000
    0.0637    1.3445    0.0081 N   0  0  0  0  0  0
    0.0681   -0.0165    0.0013 C   0  0  0  0  0  0
    1.1320   -0.7498   -0.0122 N   0  0  0  0  0  0
    1.1923    2.1006    0.0013 C   0  0  0  0  0  0
    3.6766    1.7505   -0.0244 N   0  0  0  0  0  0
    2.3720    1.3637   -0.0137 C   0  0  0  0  0  0
    2.2942   -0.0411   -0.0198 C   0  0  0  0  0  0
    3.5379   -0.5438   -0.0337 N   0  0  0  0  0  0
    4.2968    0.5734   -0.0360 C   0  0  0  0  0  0
    1.0959    3.4229    0.0094 N   0  0  0  0  0  0
   -0.9155   -0.4684    0.0083 H   0  0  0  0  0  0
    5.3776    0.5090   -0.0464 H   0  0  0  0  0  0
    0.2014    3.8861    0.0188 H   0  0  0  0  0  0
    1.9354    3.9774    0.0040 H   0  0  0  0  0  0
   -0.8356    1.8108    0.0178 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1 15  1  0  0  0
  2  3  2  0  0  0
  2 11  1  0  0  0
  3  7  1  0  0  0
  4  6  2  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  5  9  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 12  1  0  0  0
 10 13  1  0  0  0
 10 14  1  0  0  0
M  END
$$$$
m02.5a___Adenine
                    3D
 Schrodinger Suite 2021-4.
 15 16  0  0  1  0            999 V2000
   -0.0035    1.3042    0.0092 N   0  0  0  0  0  0
    0.0456    0.0147    0.0021 C   0  0  0  0  0  0
    1.1702   -0.7358   -0.0126 N   0  0  0  0  0  0
    1.1652    2.0804    0.0018 C   0  0  0  0  0  0
    3.7085    1.7289   -0.0241 N   0  0  0  0  0  0
    2.3907    1.3250   -0.0138 C   0  0  0  0  0  0
    2.3391   -0.0459   -0.0201 C   0  0  0  0  0  0
    3.6141   -0.4936   -0.0341 N   0  0  0  0  0  0
    4.4018    0.6211   -0.0359 C   0  0  0  0  0  0
    1.1288    3.3662    0.0086 N   0  0  0  0  0  0
   -0.8777   -0.5544    0.0080 H   0  0  0  0  0  0
    3.9271   -1.4538   -0.0418 H   0  0  0  0  0  0
    5.4779    0.5456   -0.0461 H   0  0  0  0  0  0
    1.1253   -1.7451   -0.0177 H   0  0  0  0  0  0
    0.1525    3.6567    0.0196 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  7  1  0  0  0
  3 14  1  0  0  0
  4  6  1  0  0  0
  4 10  2  0  0  0
  5  6  1  0  0  0
  5  9  2  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 13  1  0  0  0
 10 15  1  0  0  0
M  END
$$$$
m02.5b__Adenine
                    3D
 Schrodinger Suite 2021-4.
 15 16  0  0  1  0            999 V2000
    0.0010    1.2993    0.0084 N   0  0  0  0  0  0
    0.0508    0.0103    0.0016 C   0  0  0  0  0  0
    1.1737   -0.7458   -0.0123 N   0  0  0  0  0  0
    1.1690    2.0705    0.0018 C   0  0  0  0  0  0
    3.7056    1.7219   -0.0253 N   0  0  0  0  0  0
    2.3912    1.3103   -0.0144 C   0  0  0  0  0  0
    2.3441   -0.0597   -0.0201 C   0  0  0  0  0  0
    3.6214   -0.5013   -0.0339 N   0  0  0  0  0  0
    4.4045    0.6173   -0.0363 C   0  0  0  0  0  0
    1.0619    3.3537    0.0101 N   0  0  0  0  0  0
   -0.8728   -0.5581    0.0073 H   0  0  0  0  0  0
    3.9403   -1.4597   -0.0410 H   0  0  0  0  0  0
    5.4810    0.5465   -0.0466 H   0  0  0  0  0  0
    1.9973    3.7557    0.0037 H   0  0  0  0  0  0
    1.1242   -1.7548   -0.0169 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  7  1  0  0  0
  3 15  1  0  0  0
  4  6  1  0  0  0
  4 10  2  0  0  0
  5  6  1  0  0  0
  5  9  2  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 13  1  0  0  0
 10 14  1  0  0  0
M  END
$$$$
m02.6a__Adenine
                    3D
 Schrodinger Suite 2021-4.
 15 16  0  0  1  0            999 V2000
   -0.0078    1.3132    0.0093 N   0  0  0  0  0  0
    0.0486    0.0193    0.0019 C   0  0  0  0  0  0
    1.1682   -0.7294   -0.0129 N   0  0  0  0  0  0
    1.1584    2.0831    0.0019 C   0  0  0  0  0  0
    3.6910    1.6407   -0.0250 N   0  0  0  0  0  0
    2.3617    1.3082   -0.0141 C   0  0  0  0  0  0
    2.3597   -0.0632   -0.0211 C   0  0  0  0  0  0
    3.6104   -0.5814   -0.0358 N   0  0  0  0  0  0
    4.3866    0.4905   -0.0378 C   0  0  0  0  0  0
    1.1578    3.3703    0.0092 N   0  0  0  0  0  0
   -0.8768   -0.5465    0.0079 H   0  0  0  0  0  0
    5.4651    0.4734   -0.0481 H   0  0  0  0  0  0
    1.1147   -1.7380   -0.0182 H   0  0  0  0  0  0
    4.0801    2.5717   -0.0235 H   0  0  0  0  0  0
    0.1918    3.6930    0.0206 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  7  1  0  0  0
  3 13  1  0  0  0
  4  6  1  0  0  0
  4 10  2  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 14  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 12  1  0  0  0
 10 15  1  0  0  0
M  END
$$$$
m02.6b__Adenine
                    3D
 Schrodinger Suite 2021-4.
 15 16  0  0  1  0            999 V2000
    0.0025    1.3130    0.0101 N   0  0  0  0  0  0
    0.0568    0.0205    0.0023 C   0  0  0  0  0  0
    1.1748   -0.7323   -0.0134 N   0  0  0  0  0  0
    1.1659    2.0836    0.0021 C   0  0  0  0  0  0
    3.7019    1.6320   -0.0243 N   0  0  0  0  0  0
    2.3695    1.3044   -0.0137 C   0  0  0  0  0  0
    2.3659   -0.0681   -0.0215 C   0  0  0  0  0  0
    3.6149   -0.5894   -0.0366 N   0  0  0  0  0  0
    4.3938    0.4802   -0.0379 C   0  0  0  0  0  0
    1.0649    3.3687    0.0095 N   0  0  0  0  0  0
   -0.8695   -0.5437    0.0087 H   0  0  0  0  0  0
    5.4723    0.4608   -0.0483 H   0  0  0  0  0  0
    1.9940    3.7839    0.0018 H   0  0  0  0  0  0
    1.1197   -1.7408   -0.0193 H   0  0  0  0  0  0
    4.0974    2.5610   -0.0226 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  7  1  0  0  0
  3 14  1  0  0  0
  4  6  1  0  0  0
  4 10  2  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 15  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 12  1  0  0  0
 10 13  1  0  0  0
M  END
$$$$
m02.7a__Adenine
                    3D
 Schrodinger Suite 2021-4.
 15 16  0  0  1  0            999 V2000
    0.1203    1.2728    0.2129 N   0  0  0  0  0  0
    0.0133   -0.0354   -0.1033 C   0  0  0  0  0  0
    0.9391   -0.7467   -0.6680 N   0  0  0  0  0  0
    1.2391    2.0860   -0.0099 C   0  0  0  0  0  0
    3.5344    1.6938   -1.0358 N   0  0  0  0  0  0
    2.2759    1.3208   -0.6356 C   0  0  0  0  0  0
    2.0556   -0.0137   -0.9134 C   0  0  0  0  0  0
    3.2039   -0.4554   -1.4935 N   0  0  0  0  0  0
    4.0537    0.6022   -1.5421 C   0  0  0  0  0  0
    1.2993    3.3267    0.3086 N   0  0  0  0  0  0
   -0.9361   -0.4917    0.1500 H   0  0  0  0  0  0
    3.3915   -1.3912   -1.8227 H   0  0  0  0  0  0
    5.0444    0.5140   -1.9606 H   0  0  0  0  0  0
   -0.6825    1.7070    0.6506 H   0  0  0  0  0  0
    0.4264    3.6238    0.7409 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1 14  1  0  0  0
  2  3  2  0  0  0
  2 11  1  0  0  0
  3  7  1  0  0  0
  4  6  1  0  0  0
  4 10  2  0  0  0
  5  6  1  0  0  0
  5  9  2  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 13  1  0  0  0
 10 15  1  0  0  0
M  END
$$$$
m02.7b__Adenine
                    3D
 Schrodinger Suite 2021-4.
 15 16  0  0  1  0            999 V2000
    0.1307    1.2797    0.2098 N   0  0  0  0  0  0
    0.0190   -0.0272   -0.1034 C   0  0  0  0  0  0
    0.9406   -0.7466   -0.6678 N   0  0  0  0  0  0
    1.2514    2.0808   -0.0157 C   0  0  0  0  0  0
    3.5409    1.6865   -1.0414 N   0  0  0  0  0  0
    2.2838    1.3119   -0.6411 C   0  0  0  0  0  0
    2.0609   -0.0216   -0.9174 C   0  0  0  0  0  0
    3.2092   -0.4635   -1.4976 N   0  0  0  0  0  0
    4.0599    0.5946   -1.5474 C   0  0  0  0  0  0
    1.2187    3.3130    0.3387 N   0  0  0  0  0  0
   -0.9320   -0.4790    0.1517 H   0  0  0  0  0  0
    3.3993   -1.3989   -1.8269 H   0  0  0  0  0  0
    5.0502    0.5052   -1.9667 H   0  0  0  0  0  0
    2.1079    3.7452    0.1031 H   0  0  0  0  0  0
   -0.6636    1.7274    0.6484 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1 15  1  0  0  0
  2  3  2  0  0  0
  2 11  1  0  0  0
  3  7  1  0  0  0
  4  6  1  0  0  0
  4 10  2  0  0  0
  5  6  1  0  0  0
  5  9  2  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 13  1  0  0  0
 10 14  1  0  0  0
M  END
$$$$
m02.8a__Adenine
                    3D
 Schrodinger Suite 2021-4.
 15 16  0  0  1  0            999 V2000
    0.1145    1.2814    0.2243 N   0  0  0  0  0  0
    0.0162   -0.0308   -0.1013 C   0  0  0  0  0  0
    0.9318   -0.7337   -0.6842 N   0  0  0  0  0  0
    1.2226    2.0943   -0.0157 C   0  0  0  0  0  0
    3.4809    1.6408   -1.0972 N   0  0  0  0  0  0
    2.2298    1.3194   -0.6584 C   0  0  0  0  0  0
    2.0624   -0.0168   -0.9619 C   0  0  0  0  0  0
    3.1796   -0.5086   -1.5731 N   0  0  0  0  0  0
    4.0022    0.5194   -1.6325 C   0  0  0  0  0  0
    1.3158    3.3361    0.2932 N   0  0  0  0  0  0
   -0.9276   -0.4907    0.1679 H   0  0  0  0  0  0
    4.9941    0.5016   -2.0570 H   0  0  0  0  0  0
   -0.6841    1.7074    0.6767 H   0  0  0  0  0  0
    3.9327    2.5413   -1.0388 H   0  0  0  0  0  0
    0.4612    3.6563    0.7446 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1 13  1  0  0  0
  2  3  2  0  0  0
  2 11  1  0  0  0
  3  7  1  0  0  0
  4  6  1  0  0  0
  4 10  2  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 14  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 12  1  0  0  0
 10 15  1  0  0  0
M  END
$$$$
m02.8b__Adenine
                    3D
 Schrodinger Suite 2021-4.
 15 16  0  0  1  0            999 V2000
    0.1289    1.2907    0.2209 N   0  0  0  0  0  0
    0.0240   -0.0186   -0.1012 C   0  0  0  0  0  0
    0.9359   -0.7279   -0.6848 N   0  0  0  0  0  0
    1.2370    2.0980   -0.0203 C   0  0  0  0  0  0
    3.4979    1.6321   -1.1049 N   0  0  0  0  0  0
    2.2438    1.3200   -0.6628 C   0  0  0  0  0  0
    2.0687   -0.0169   -0.9647 C   0  0  0  0  0  0
    3.1817   -0.5158   -1.5771 N   0  0  0  0  0  0
    4.0104    0.5071   -1.6396 C   0  0  0  0  0  0
    1.2104    3.3313    0.3354 N   0  0  0  0  0  0
   -0.9211   -0.4744    0.1697 H   0  0  0  0  0  0
    5.0013    0.4833   -2.0662 H   0  0  0  0  0  0
    2.0894    3.7772    0.0876 H   0  0  0  0  0  0
   -0.6610    1.7306    0.6748 H   0  0  0  0  0  0
    3.9582    2.5292   -1.0515 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1 14  1  0  0  0
  2  3  2  0  0  0
  2 11  1  0  0  0
  3  7  1  0  0  0
  4  6  1  0  0  0
  4 10  2  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 15  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 12  1  0  0  0
 10 13  1  0  0  0
M  END
$$$$
m03.1___Hypoxanthine
                    3D
 Schrodinger Suite 2021-4.
 14 15  0  0  1  0            999 V2000
    0.0596    1.3058    0.0081 N   0  0  0  0  0  0
    0.0706   -0.0449    0.0007 C   0  0  0  0  0  0
    1.1436   -0.7762   -0.0133 N   0  0  0  0  0  0
    1.1823    2.1315    0.0019 C   0  0  0  0  0  0
    3.5497   -0.4811   -0.0346 N   0  0  0  0  0  0
    4.3553    0.6146   -0.0366 C   0  0  0  0  0  0
    3.6894    1.7410   -0.0249 N   0  0  0  0  0  0
    2.3727    1.3528   -0.0140 C   0  0  0  0  0  0
    2.2690   -0.0301   -0.0202 C   0  0  0  0  0  0
    1.0620    3.3561    0.0090 O   0  0  0  0  0  0
   -0.8389    1.7738    0.0184 H   0  0  0  0  0  0
   -0.9037   -0.5174    0.0074 H   0  0  0  0  0  0
    3.8511   -1.4453   -0.0425 H   0  0  0  0  0  0
    5.4305    0.5221   -0.0472 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1 11  1  0  0  0
  2  3  2  0  0  0
  2 12  1  0  0  0
  3  9  1  0  0  0
  4  8  1  0  0  0
  4 10  2  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 13  1  0  0  0
  6  7  2  0  0  0
  6 14  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
M  END
$$$$
m03.2___Hypoxanthine
                    3D
 Schrodinger Suite 2021-4.
 14 15  0  0  1  0            999 V2000
    0.0498    1.3222    0.0082 N   0  0  0  0  0  0
    0.0699   -0.0330    0.0010 C   0  0  0  0  0  0
    1.1396   -0.7627   -0.0132 N   0  0  0  0  0  0
    1.1687    2.1439    0.0012 C   0  0  0  0  0  0
    3.5513   -0.5556   -0.0353 N   0  0  0  0  0  0
    4.3396    0.5018   -0.0372 C   0  0  0  0  0  0
    3.6668    1.6670   -0.0248 N   0  0  0  0  0  0
    2.3395    1.3474   -0.0140 C   0  0  0  0  0  0
    2.2902   -0.0390   -0.0206 C   0  0  0  0  0  0
    1.0722    3.3715    0.0089 O   0  0  0  0  0  0
   -0.8505    1.7866    0.0188 H   0  0  0  0  0  0
   -0.9059   -0.5033    0.0081 H   0  0  0  0  0  0
    5.4183    0.4723   -0.0474 H   0  0  0  0  0  0
    4.0710    2.5923   -0.0235 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1 11  1  0  0  0
  2  3  2  0  0  0
  2 12  1  0  0  0
  3  9  1  0  0  0
  4  8  1  0  0  0
  4 10  2  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 13  1  0  0  0
  7  8  1  0  0  0
  7 14  1  0  0  0
  8  9  2  0  0  0
M  END
$$$$
m03.3___Hypoxanthine
                    3D
 Schrodinger Suite 2021-4.
 14 15  0  0  1  0            999 V2000
   -0.0687    1.2390   -0.0517 N   0  0  0  0  0  0
    0.0170   -0.1166   -0.0668 C   0  0  0  0  0  0
    1.1306   -0.7774   -0.0464 N   0  0  0  0  0  0
    1.0128    2.0444   -0.0134 C   0  0  0  0  0  0
    3.5113   -0.4261    0.0201 N   0  0  0  0  0  0
    4.1977    0.7391    0.0517 C   0  0  0  0  0  0
    3.5125    1.8765    0.0494 N   0  0  0  0  0  0
    2.2347    1.4122    0.0105 C   0  0  0  0  0  0
    2.2430   -0.0058   -0.0075 C   0  0  0  0  0  0
    0.7522    3.3354   -0.0043 O   0  0  0  0  0  0
   -0.9862    1.6710   -0.0682 H   0  0  0  0  0  0
   -0.9333   -0.6329   -0.0979 H   0  0  0  0  0  0
    5.2798    0.7397    0.0793 H   0  0  0  0  0  0
    1.5756    3.8449    0.0221 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1 11  1  0  0  0
  2  3  2  0  0  0
  2 12  1  0  0  0
  3  9  1  0  0  0
  4  8  2  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  5  9  2  0  0  0
  6  7  2  0  0  0
  6 13  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
 10 14  1  0  0  0
M  END
$$$$
m03.4___Hypoxanthine
                    3D
 Schrodinger Suite 2021-4.
 14 15  0  0  1  0            999 V2000
    0.0000    1.2960    0.0094 N   0  0  0  0  0  0
    0.0448    0.0008    0.0019 C   0  0  0  0  0  0
    1.1670   -0.7460   -0.0131 N   0  0  0  0  0  0
    1.1651    2.0558    0.0022 C   0  0  0  0  0  0
    3.6096   -0.5100   -0.0346 N   0  0  0  0  0  0
    4.3931    0.6106   -0.0360 C   0  0  0  0  0  0
    3.7011    1.7167   -0.0241 N   0  0  0  0  0  0
    2.3851    1.3073   -0.0137 C   0  0  0  0  0  0
    2.3354   -0.0684   -0.0205 C   0  0  0  0  0  0
    1.1036    3.2915    0.0086 O   0  0  0  0  0  0
   -0.8781   -0.5681    0.0077 H   0  0  0  0  0  0
    3.9286   -1.4688   -0.0426 H   0  0  0  0  0  0
    5.4695    0.5362   -0.0463 H   0  0  0  0  0  0
    1.1184   -1.7568   -0.0185 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  9  1  0  0  0
  3 14  1  0  0  0
  4  8  1  0  0  0
  4 10  2  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 12  1  0  0  0
  6  7  2  0  0  0
  6 13  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
M  END
$$$$
m03.5___Hypoxanthine
                    3D
 Schrodinger Suite 2021-4.
 14 15  0  0  1  0            999 V2000
   -0.0228    1.3105    0.0093 N   0  0  0  0  0  0
    0.0532    0.0124    0.0021 C   0  0  0  0  0  0
    1.1850   -0.7103   -0.0125 N   0  0  0  0  0  0
    1.1231    2.0888    0.0019 C   0  0  0  0  0  0
    3.6195   -0.5262   -0.0343 N   0  0  0  0  0  0
    4.3730    0.5625   -0.0357 C   0  0  0  0  0  0
    3.6611    1.7005   -0.0237 N   0  0  0  0  0  0
    2.3379    1.3440   -0.0133 C   0  0  0  0  0  0
    2.3619   -0.0325   -0.0203 C   0  0  0  0  0  0
    1.0616    3.3256    0.0088 O   0  0  0  0  0  0
   -0.8609   -0.5704    0.0080 H   0  0  0  0  0  0
    5.4519    0.5645   -0.0454 H   0  0  0  0  0  0
    1.1487   -1.7215   -0.0176 H   0  0  0  0  0  0
    4.0349    2.6384   -0.0222 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  9  1  0  0  0
  3 13  1  0  0  0
  4  8  1  0  0  0
  4 10  2  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7  8  1  0  0  0
  7 14  1  0  0  0
  8  9  2  0  0  0
M  END
$$$$
m03.6___Hypoxanthine
                    3D
 Schrodinger Suite 2021-4.
 14 15  0  0  1  0            999 V2000
   -0.0144    1.3413    0.0095 N   0  0  0  0  0  0
    0.0404    0.0323    0.0021 C   0  0  0  0  0  0
    1.1751   -0.6697   -0.0125 N   0  0  0  0  0  0
    1.1298    2.0408    0.0020 C   0  0  0  0  0  0
    3.5898   -0.4899   -0.0347 N   0  0  0  0  0  0
    4.3055    0.6613   -0.0354 C   0  0  0  0  0  0
    3.6561    1.8166   -0.0235 N   0  0  0  0  0  0
    2.3575    1.3994   -0.0132 C   0  0  0  0  0  0
    2.3577   -0.0059   -0.0204 C   0  0  0  0  0  0
    1.0543    3.3638    0.0098 O   0  0  0  0  0  0
   -0.8783   -0.5392    0.0079 H   0  0  0  0  0  0
    5.3873    0.6277   -0.0458 H   0  0  0  0  0  0
    1.1382   -1.6831   -0.0179 H   0  0  0  0  0  0
    0.1211    3.6262    0.0196 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  9  1  0  0  0
  3 13  1  0  0  0
  4  8  2  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  5  9  2  0  0  0
  6  7  2  0  0  0
  6 12  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
 10 14  1  0  0  0
M  END
$$$$
m03.7___Hypoxanthine
                    3D
 Schrodinger Suite 2021-4.
 14 15  0  0  1  0            999 V2000
    0.0838    1.4045    0.1706 N   0  0  0  0  0  0
    0.1034    0.0714    0.0635 C   0  0  0  0  0  0
    1.1581   -0.7205   -0.0394 N   0  0  0  0  0  0
    1.2372    2.0545    0.1788 C   0  0  0  0  0  0
    3.5750   -0.5042   -0.1112 N   0  0  0  0  0  0
    4.3971    0.5786   -0.0555 C   0  0  0  0  0  0
    3.7614    1.7155    0.0573 N   0  0  0  0  0  0
    2.4338    1.3496    0.0776 C   0  0  0  0  0  0
    2.3000   -0.0353   -0.0274 C   0  0  0  0  0  0
    1.2430    3.3820    0.2843 O   0  0  0  0  0  0
   -0.8665   -0.4132    0.0615 H   0  0  0  0  0  0
    3.8620   -1.4683   -0.1994 H   0  0  0  0  0  0
    5.4701    0.4687   -0.1031 H   0  0  0  0  0  0
    0.3264    3.6911    0.3415 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  2  0  0  0
  2  3  2  0  0  0
  2 11  1  0  0  0
  3  9  1  0  0  0
  4  8  1  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 12  1  0  0  0
  6  7  2  0  0  0
  6 13  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
 10 14  1  0  0  0
M  END
$$$$
m03.8___Hypoxanthine
                    3D
 Schrodinger Suite 2021-4.
 14 15  0  0  1  0            999 V2000
    0.0626    1.4120    0.1734 N   0  0  0  0  0  0
    0.0942    0.0758    0.0563 C   0  0  0  0  0  0
    1.1489   -0.7067   -0.0609 N   0  0  0  0  0  0
    1.2101    2.0653    0.1755 C   0  0  0  0  0  0
    3.5655   -0.5756   -0.1615 N   0  0  0  0  0  0
    4.3691    0.4646   -0.1105 C   0  0  0  0  0  0
    3.7273    1.6436    0.0195 N   0  0  0  0  0  0
    2.3921    1.3498    0.0565 C   0  0  0  0  0  0
    2.3107   -0.0394   -0.0581 C   0  0  0  0  0  0
    1.2307    3.3928    0.2910 O   0  0  0  0  0  0
   -0.8750   -0.4110    0.0595 H   0  0  0  0  0  0
    5.4464    0.4179   -0.1643 H   0  0  0  0  0  0
    4.1585    2.5543    0.0740 H   0  0  0  0  0  0
    0.3187    3.7126    0.3621 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  2  0  0  0
  2  3  2  0  0  0
  2 11  1  0  0  0
  3  9  1  0  0  0
  4  8  1  0  0  0
  4 10  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7  8  1  0  0  0
  7 13  1  0  0  0
  8  9  2  0  0  0
 10 14  1  0  0  0
M  END
$$$$
m04.1___123-triazole
                    3D
 Schrodinger Suite 2021-4.
  8  8  0  0  1  0            999 V2000
   -0.0170    1.2984    0.0081 N   0  0  0  0  0  0
   -0.0224   -0.0429    0.0017 C   0  0  0  0  0  0
    1.3060   -0.3732   -0.0120 C   0  0  0  0  0  0
    2.0298    0.7719   -0.0131 N   0  0  0  0  0  0
    1.2160    1.7849   -0.0008 N   0  0  0  0  0  0
   -0.8094    1.9258    0.0184 H   0  0  0  0  0  0
   -0.9291   -0.6239    0.0071 H   0  0  0  0  0  0
    1.7705   -1.3452   -0.0209 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1  6  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  2  0  0  0
M  END
$$$$
m04.2___123-triazole
                    3D
 Schrodinger Suite 2021-4.
  8  8  0  0  1  0            999 V2000
   -0.0717    1.3190    0.0098 N   0  0  0  0  0  0
    0.0036   -0.0084    0.0022 C   0  0  0  0  0  0
    1.3470   -0.3715   -0.0127 C   0  0  0  0  0  0
    2.0808    0.7374   -0.0139 N   0  0  0  0  0  0
    1.1847    1.6949   -0.0002 N   0  0  0  0  0  0
   -0.8820   -0.6222    0.0074 H   0  0  0  0  0  0
    1.8028   -1.3479   -0.0221 H   0  0  0  0  0  0
    1.4481    2.6707    0.0024 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  5  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5  8  1  0  0  0
M  END
$$$$
m05.1___124-triazole
                    3D
 Schrodinger Suite 2021-4.
  8  8  0  0  1  0            999 V2000
    0.0200    1.3578    0.0079 C   0  0  0  0  0  0
    0.0575    0.0297    0.0014 N   0  0  0  0  0  0
    1.3229   -0.4068   -0.0118 N   0  0  0  0  0  0
    1.9916    0.7227   -0.0129 C   0  0  0  0  0  0
    1.2437    1.8463   -0.0009 N   0  0  0  0  0  0
   -0.9014    1.9187    0.0188 H   0  0  0  0  0  0
    3.0707    0.7356   -0.0224 H   0  0  0  0  0  0
   -0.7198   -0.6147    0.0055 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  5  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
M  END
$$$$
m05.2___124-triazole
                    3D
 Schrodinger Suite 2021-4.
  8  8  0  0  1  0            999 V2000
   -0.0102    1.2869    0.0078 C   0  0  0  0  0  0
   -0.0490   -0.0179    0.0016 N   0  0  0  0  0  0
    1.2505   -0.4626   -0.0121 N   0  0  0  0  0  0
    2.0193    0.5923   -0.0137 C   0  0  0  0  0  0
    1.2697    1.7146   -0.0015 N   0  0  0  0  0  0
   -0.8615    1.9484    0.0188 H   0  0  0  0  0  0
    3.0974    0.5939   -0.0230 H   0  0  0  0  0  0
    1.5975    2.6694    0.0006 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  5  1  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  8  1  0  0  0
M  END
$$$$
m06.1___Isocytosine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
    0.0222    1.3103    0.0085 N   0  0  0  0  0  0
    0.0256   -0.0457    0.0023 C   0  0  0  0  0  0
    1.1419   -0.7487   -0.0111 N   0  0  0  0  0  0
    1.1697    2.0889    0.0015 C   0  0  0  0  0  0
    2.3700    1.3289   -0.0136 C   0  0  0  0  0  0
    2.2838   -0.0321   -0.0188 C   0  0  0  0  0  0
    1.0622    3.3212    0.0072 O   0  0  0  0  0  0
   -1.1559   -0.6623    0.0105 N   0  0  0  0  0  0
   -0.8620    1.8055    0.0181 H   0  0  0  0  0  0
    3.3205    1.8428   -0.0207 H   0  0  0  0  0  0
    3.1949   -0.6224   -0.0303 H   0  0  0  0  0  0
   -2.0202   -0.1474    0.0185 H   0  0  0  0  0  0
   -1.1778   -1.6676    0.0042 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  9  1  0  0  0
  2  3  2  0  0  0
  2  8  1  0  0  0
  3  6  1  0  0  0
  4  5  1  0  0  0
  4  7  2  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6 11  1  0  0  0
  8 12  1  0  0  0
  8 13  1  0  0  0
M  END
$$$$
m06.2___Isocytosine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
   -0.0442    1.3310    0.0094 N   0  0  0  0  0  0
   -0.0005    0.0185    0.0035 C   0  0  0  0  0  0
    1.1642   -0.6790   -0.0108 N   0  0  0  0  0  0
    1.1219    2.0435    0.0012 C   0  0  0  0  0  0
    2.3758    1.3229   -0.0136 C   0  0  0  0  0  0
    2.3534   -0.0200   -0.0193 C   0  0  0  0  0  0
    1.0910    3.2892    0.0060 O   0  0  0  0  0  0
   -1.1294   -0.6939    0.0125 N   0  0  0  0  0  0
    3.3090    1.8676   -0.0202 H   0  0  0  0  0  0
    3.2370   -0.6436   -0.0307 H   0  0  0  0  0  0
   -2.0099   -0.2091    0.0177 H   0  0  0  0  0  0
   -1.1138   -1.7001    0.0019 H   0  0  0  0  0  0
    1.1477   -1.6896   -0.0159 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  3  6  1  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4  7  2  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6 10  1  0  0  0
  8 11  1  0  0  0
  8 12  1  0  0  0
M  END
$$$$
m06.3a__Isocytosine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
    0.0626    1.3411    0.1435 N   0  0  0  0  0  0
   -0.0451   -0.0253    0.0049 C   0  0  0  0  0  0
    1.1517   -0.6454   -0.2640 N   0  0  0  0  0  0
    1.2107    2.1004    0.0384 C   0  0  0  0  0  0
    2.4051    1.3586   -0.2459 C   0  0  0  0  0  0
    2.3217    0.0197   -0.3841 C   0  0  0  0  0  0
    1.1448    3.3215    0.1883 O   0  0  0  0  0  0
   -1.1183   -0.7127    0.1034 N   0  0  0  0  0  0
   -0.7907    1.8473    0.3429 H   0  0  0  0  0  0
    3.3438    1.8819   -0.3436 H   0  0  0  0  0  0
    3.1832   -0.5995   -0.5983 H   0  0  0  0  0  0
    1.1262   -1.6480   -0.3761 H   0  0  0  0  0  0
   -1.9075   -0.1049    0.3038 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2  8  2  0  0  0
  3  6  1  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4  7  2  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6 11  1  0  0  0
  8 13  1  0  0  0
M  END
$$$$
m06.3b__Isocytosine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
    0.0658    1.3226    0.1411 N   0  0  0  0  0  0
   -0.0340   -0.0426    0.0013 C   0  0  0  0  0  0
    1.1678   -0.6567   -0.2680 N   0  0  0  0  0  0
    1.2050    2.0884    0.0380 C   0  0  0  0  0  0
    2.4075    1.3561   -0.2464 C   0  0  0  0  0  0
    2.3359    0.0181   -0.3865 C   0  0  0  0  0  0
    1.1337    3.3096    0.1882 O   0  0  0  0  0  0
   -1.1666   -0.6234    0.1221 N   0  0  0  0  0  0
   -0.7971    1.8116    0.3394 H   0  0  0  0  0  0
    3.3413    1.8882   -0.3421 H   0  0  0  0  0  0
    3.2016   -0.5951   -0.6007 H   0  0  0  0  0  0
   -1.0605   -1.6258   -0.0104 H   0  0  0  0  0  0
    1.1589   -1.6596   -0.3839 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2  8  2  0  0  0
  3  6  1  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4  7  2  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6 11  1  0  0  0
  8 12  1  0  0  0
M  END
$$$$
m06.4a__Isocytosine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
    0.0549    1.3704    0.0080 N   0  0  0  0  0  0
   -0.0251   -0.0254    0.0019 C   0  0  0  0  0  0
    1.1589   -0.7151   -0.0128 N   0  0  0  0  0  0
    1.2107    2.0506    0.0011 C   0  0  0  0  0  0
    2.3962    1.3623   -0.0128 C   0  0  0  0  0  0
    2.2770   -0.0315   -0.0193 C   0  0  0  0  0  0
    1.0589    3.3659    0.0089 O   0  0  0  0  0  0
   -1.1549   -0.6389    0.0094 N   0  0  0  0  0  0
   -0.8076    1.9014    0.0175 H   0  0  0  0  0  0
    3.3484    1.8710   -0.0187 H   0  0  0  0  0  0
    3.1901   -0.6216   -0.0311 H   0  0  0  0  0  0
    1.9229    3.8017    0.0028 H   0  0  0  0  0  0
   -1.9190    0.0317    0.0201 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2  8  2  0  0  0
  3  6  2  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  6 11  1  0  0  0
  7 12  1  0  0  0
  8 13  1  0  0  0
M  END
$$$$
m06.4b__Isocytosine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
    0.0605    1.3584    0.0085 N   0  0  0  0  0  0
   -0.0077   -0.0336    0.0019 C   0  0  0  0  0  0
    1.1781   -0.7217   -0.0123 N   0  0  0  0  0  0
    1.2104    2.0435    0.0011 C   0  0  0  0  0  0
    2.4020    1.3616   -0.0132 C   0  0  0  0  0  0
    2.2943   -0.0316   -0.0192 C   0  0  0  0  0  0
    1.0539    3.3580    0.0089 O   0  0  0  0  0  0
   -1.1794   -0.5615    0.0095 N   0  0  0  0  0  0
   -0.8124    1.8710    0.0183 H   0  0  0  0  0  0
    3.3501    1.8779   -0.0196 H   0  0  0  0  0  0
    3.2109   -0.6161   -0.0308 H   0  0  0  0  0  0
   -1.0665   -1.5711    0.0032 H   0  0  0  0  0  0
    1.9163    3.7969    0.0026 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2  8  2  0  0  0
  3  6  2  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  6 11  1  0  0  0
  7 13  1  0  0  0
  8 12  1  0  0  0
M  END
$$$$
m06.5a__Isocytosine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
   -0.0413    1.3855    0.0102 N   0  0  0  0  0  0
   -0.0581    0.0145    0.0031 C   0  0  0  0  0  0
    1.1718   -0.6297   -0.0124 N   0  0  0  0  0  0
    1.1018    2.0085    0.0024 C   0  0  0  0  0  0
    2.3712    1.3808   -0.0131 C   0  0  0  0  0  0
    2.3423    0.0268   -0.0203 C   0  0  0  0  0  0
    1.0982    3.3442    0.0092 O   0  0  0  0  0  0
   -1.1173   -0.7130    0.0095 N   0  0  0  0  0  0
    3.2906    1.9447   -0.0191 H   0  0  0  0  0  0
    3.2338   -0.5862   -0.0325 H   0  0  0  0  0  0
    1.1635   -1.6394   -0.0182 H   0  0  0  0  0  0
    0.1774    3.6461    0.0190 H   0  0  0  0  0  0
   -1.9247   -0.0969    0.0206 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  2  0  0  0
  2  3  1  0  0  0
  2  8  2  0  0  0
  3  6  1  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6 10  1  0  0  0
  7 12  1  0  0  0
  8 13  1  0  0  0
M  END
$$$$
m06.5b__Isocytosine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
   -0.0342    1.3762    0.0100 N   0  0  0  0  0  0
   -0.0520    0.0060    0.0031 C   0  0  0  0  0  0
    1.1856   -0.6329   -0.0129 N   0  0  0  0  0  0
    1.1060    2.0010    0.0024 C   0  0  0  0  0  0
    2.3799    1.3802   -0.0128 C   0  0  0  0  0  0
    2.3563    0.0276   -0.0204 C   0  0  0  0  0  0
    1.0990    3.3373    0.0090 O   0  0  0  0  0  0
   -1.1654   -0.6378    0.0108 N   0  0  0  0  0  0
    3.2963    1.9490   -0.0184 H   0  0  0  0  0  0
    3.2495   -0.5832   -0.0326 H   0  0  0  0  0  0
   -0.9865   -1.6392    0.0040 H   0  0  0  0  0  0
    1.1939   -1.6432   -0.0198 H   0  0  0  0  0  0
    0.1773    3.6363    0.0184 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  2  0  0  0
  2  3  1  0  0  0
  2  8  2  0  0  0
  3  6  1  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6 10  1  0  0  0
  7 13  1  0  0  0
  8 11  1  0  0  0
M  END
$$$$
m06.6___Isocytosine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
    0.0539    1.3783    0.1740 N   0  0  0  0  0  0
    0.0585    0.0408    0.0454 C   0  0  0  0  0  0
    1.1461   -0.7295   -0.0910 N   0  0  0  0  0  0
    1.2303    1.9720    0.1627 C   0  0  0  0  0  0
    2.4334    1.2830    0.0282 C   0  0  0  0  0  0
    2.3101   -0.0818   -0.0954 C   0  0  0  0  0  0
    1.2620    3.3055    0.2874 O   0  0  0  0  0  0
   -1.1355   -0.5717    0.0542 N   0  0  0  0  0  0
    3.3873    1.7897    0.0220 H   0  0  0  0  0  0
    3.1980   -0.6972   -0.2051 H   0  0  0  0  0  0
   -1.9778   -0.0336    0.1509 H   0  0  0  0  0  0
   -1.1841   -1.5700   -0.0430 H   0  0  0  0  0  0
    0.3516    3.6265    0.3662 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  2  0  0  0
  2  3  2  0  0  0
  2  8  1  0  0  0
  3  6  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6 10  1  0  0  0
  7 13  1  0  0  0
  8 11  1  0  0  0
  8 12  1  0  0  0
M  END
$$$$
m07.1___Cytosine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
   -0.0547    1.3703    0.0096 C   0  0  0  0  0  0
   -0.0092    0.0223    0.0017 C   0  0  0  0  0  0
    1.1803   -0.6138   -0.0129 N   0  0  0  0  0  0
    1.1984    2.0486    0.0012 C   0  0  0  0  0  0
    2.3646    1.4100   -0.0127 N   0  0  0  0  0  0
    2.3872    0.0632   -0.0198 C   0  0  0  0  0  0
    1.2185    3.3819    0.0074 N   0  0  0  0  0  0
    3.4367   -0.5969   -0.0316 O   0  0  0  0  0  0
   -0.9905    1.9097    0.0214 H   0  0  0  0  0  0
   -0.8915   -0.6040    0.0066 H   0  0  0  0  0  0
    1.2163   -1.6231   -0.0191 H   0  0  0  0  0  0
    0.3607    3.9065    0.0175 H   0  0  0  0  0  0
    2.0984    3.8705    0.0015 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  6  1  0  0  0
  3 11  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  6  8  2  0  0  0
  7 12  1  0  0  0
  7 13  1  0  0  0
M  END
$$$$
m07.2___Cytosine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
   -0.0590    1.3902    0.0087 C   0  0  0  0  0  0
    0.0274    0.0160    0.0008 C   0  0  0  0  0  0
    1.1479   -0.7028   -0.0128 N   0  0  0  0  0  0
    1.1441    2.0937    0.0016 C   0  0  0  0  0  0
    2.2770    1.3603   -0.0118 N   0  0  0  0  0  0
    2.3154   -0.0299   -0.0193 C   0  0  0  0  0  0
    1.2408    3.4176    0.0072 N   0  0  0  0  0  0
    3.4286   -0.5725   -0.0313 O   0  0  0  0  0  0
   -1.0042    1.9127    0.0198 H   0  0  0  0  0  0
   -0.8950   -0.5587    0.0059 H   0  0  0  0  0  0
    0.4033    3.9752    0.0172 H   0  0  0  0  0  0
    2.1363    3.8787    0.0023 H   0  0  0  0  0  0
    3.1746    1.8296   -0.0168 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  2  0  0  0
  1  9  1  0  0  0
  2  3  2  0  0  0
  2 10  1  0  0  0
  3  6  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  6  8  2  0  0  0
  7 11  1  0  0  0
  7 12  1  0  0  0
M  END
$$$$
m07.3a__Cytosine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
   -0.0177    1.3692    0.0087 C   0  0  0  0  0  0
    0.0122    0.0295    0.0016 C   0  0  0  0  0  0
    1.1917   -0.6640   -0.0127 N   0  0  0  0  0  0
    1.2165    2.1141    0.0010 C   0  0  0  0  0  0
    2.3585    1.3139   -0.0134 N   0  0  0  0  0  0
    2.4076   -0.0485   -0.0201 C   0  0  0  0  0  0
    1.2582    3.3946    0.0069 N   0  0  0  0  0  0
    3.4649   -0.6691   -0.0319 O   0  0  0  0  0  0
   -0.9531    1.9077    0.0202 H   0  0  0  0  0  0
   -0.8816   -0.5796    0.0067 H   0  0  0  0  0  0
    1.1910   -1.6732   -0.0182 H   0  0  0  0  0  0
    2.2229    3.7222   -0.0004 H   0  0  0  0  0  0
    3.2598    1.7740   -0.0187 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  6  1  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  4  7  2  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  6  8  2  0  0  0
  7 12  1  0  0  0
M  END
$$$$
m07.3b__Cytosine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
   -0.0314    1.3655    0.0088 C   0  0  0  0  0  0
    0.0047    0.0253    0.0017 C   0  0  0  0  0  0
    1.1872   -0.6602   -0.0126 N   0  0  0  0  0  0
    1.2021    2.1131    0.0011 C   0  0  0  0  0  0
    2.3463    1.3220   -0.0132 N   0  0  0  0  0  0
    2.4016   -0.0372   -0.0201 C   0  0  0  0  0  0
    1.3525    3.3856    0.0058 N   0  0  0  0  0  0
    3.4603   -0.6560   -0.0318 O   0  0  0  0  0  0
   -0.9707    1.8989    0.0203 H   0  0  0  0  0  0
   -0.8862   -0.5881    0.0067 H   0  0  0  0  0  0
    1.1929   -1.6694   -0.0182 H   0  0  0  0  0  0
    3.2385    1.7985   -0.0186 H   0  0  0  0  0  0
    0.4352    3.8237    0.0165 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  6  1  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  4  7  2  0  0  0
  5  6  1  0  0  0
  5 12  1  0  0  0
  6  8  2  0  0  0
  7 13  1  0  0  0
M  END
$$$$
m07.4a__Cytosine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
    0.0019    1.3593    0.0087 C   0  0  0  0  0  0
    0.0265    0.0199    0.0014 C   0  0  0  0  0  0
    1.2258   -0.6420   -0.0132 N   0  0  0  0  0  0
    1.2465    2.1014    0.0008 C   0  0  0  0  0  0
    2.4281    1.3656   -0.0130 N   0  0  0  0  0  0
    2.3641    0.0792   -0.0195 C   0  0  0  0  0  0
    1.2454    3.3903    0.0068 N   0  0  0  0  0  0
    3.4605   -0.6744   -0.0335 O   0  0  0  0  0  0
   -0.9370    1.8942    0.0203 H   0  0  0  0  0  0
   -0.8559   -0.6044    0.0062 H   0  0  0  0  0  0
    1.2699   -1.6505   -0.0196 H   0  0  0  0  0  0
    2.2114    3.7140   -0.0006 H   0  0  0  0  0  0
    4.2321   -0.0891   -0.0387 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  6  1  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  4  7  2  0  0  0
  5  6  2  0  0  0
  6  8  1  0  0  0
  7 12  1  0  0  0
  8 13  1  0  0  0
M  END
$$$$
m07.4b__Cytosine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
   -0.0045    1.3612    0.0089 C   0  0  0  0  0  0
    0.0217    0.0215    0.0015 C   0  0  0  0  0  0
    1.2215   -0.6365   -0.0132 N   0  0  0  0  0  0
    1.2394    2.1092    0.0009 C   0  0  0  0  0  0
    2.4197    1.3755   -0.0129 N   0  0  0  0  0  0
    2.3574    0.0905   -0.0194 C   0  0  0  0  0  0
    1.3217    3.3963    0.0061 N   0  0  0  0  0  0
    3.4558   -0.6614   -0.0334 O   0  0  0  0  0  0
   -0.9477    1.8908    0.0205 H   0  0  0  0  0  0
   -0.8602   -0.6038    0.0063 H   0  0  0  0  0  0
    1.2693   -1.6448   -0.0197 H   0  0  0  0  0  0
    4.2256   -0.0738   -0.0386 H   0  0  0  0  0  0
    0.3794    3.7797    0.0166 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  6  1  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  4  7  2  0  0  0
  5  6  2  0  0  0
  6  8  1  0  0  0
  7 13  1  0  0  0
  8 12  1  0  0  0
M  END
$$$$
m07.5a__Cytosine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
   -0.0241    1.3487    0.0086 C   0  0  0  0  0  0
    0.0200   -0.0007    0.0012 C   0  0  0  0  0  0
    1.1691   -0.7481   -0.0131 N   0  0  0  0  0  0
    1.1968    2.1046    0.0011 C   0  0  0  0  0  0
    2.3270    1.2870   -0.0135 N   0  0  0  0  0  0
    2.2640   -0.0562   -0.0195 C   0  0  0  0  0  0
    1.2546    3.3872    0.0072 N   0  0  0  0  0  0
    3.4581   -0.6357   -0.0331 O   0  0  0  0  0  0
   -0.9634    1.8835    0.0201 H   0  0  0  0  0  0
   -0.8997   -0.5748    0.0068 H   0  0  0  0  0  0
    2.2232    3.7019   -0.0001 H   0  0  0  0  0  0
    3.2417    1.7219   -0.0189 H   0  0  0  0  0  0
    3.3346   -1.5963   -0.0356 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  6  2  0  0  0
  4  5  1  0  0  0
  4  7  2  0  0  0
  5  6  1  0  0  0
  5 12  1  0  0  0
  6  8  1  0  0  0
  7 11  1  0  0  0
  8 13  1  0  0  0
M  END
$$$$
m07.5b__Cytosine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
   -0.0374    1.3457    0.0086 C   0  0  0  0  0  0
    0.0130   -0.0042    0.0013 C   0  0  0  0  0  0
    1.1649   -0.7448   -0.0129 N   0  0  0  0  0  0
    1.1829    2.1041    0.0012 C   0  0  0  0  0  0
    2.3145    1.2947   -0.0133 N   0  0  0  0  0  0
    2.2576   -0.0463   -0.0194 C   0  0  0  0  0  0
    1.3511    3.3772    0.0062 N   0  0  0  0  0  0
    3.4530   -0.6226   -0.0329 O   0  0  0  0  0  0
   -0.9802    1.8759    0.0200 H   0  0  0  0  0  0
   -0.9040   -0.5830    0.0067 H   0  0  0  0  0  0
    3.2214    1.7448   -0.0189 H   0  0  0  0  0  0
    3.3315   -1.5835   -0.0354 H   0  0  0  0  0  0
    0.4386    3.8247    0.0170 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  6  2  0  0  0
  4  5  1  0  0  0
  4  7  2  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  6  8  1  0  0  0
  7 13  1  0  0  0
  8 12  1  0  0  0
M  END
$$$$
m07.6___Cytosine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
   -0.0056    1.3742    0.0149 C   0  0  0  0  0  0
    0.1083    0.0156   -0.0702 C   0  0  0  0  0  0
    1.2836   -0.6269   -0.1780 N   0  0  0  0  0  0
    1.1950    2.1101   -0.0145 C   0  0  0  0  0  0
    2.3775    1.4898   -0.1238 N   0  0  0  0  0  0
    2.3390    0.1712   -0.1979 C   0  0  0  0  0  0
    1.1994    3.4452    0.0657 N   0  0  0  0  0  0
    3.5465   -0.4099   -0.3069 O   0  0  0  0  0  0
   -0.9651    1.8657    0.1015 H   0  0  0  0  0  0
   -0.7782   -0.6099   -0.0527 H   0  0  0  0  0  0
    0.3362    3.9540    0.1428 H   0  0  0  0  0  0
    2.0707    3.9470    0.0397 H   0  0  0  0  0  0
    3.4114   -1.3664   -0.3535 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  2  0  0  0
  1  9  1  0  0  0
  2  3  2  0  0  0
  2 10  1  0  0  0
  3  6  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  6  8  1  0  0  0
  7 11  1  0  0  0
  7 12  1  0  0  0
  8 13  1  0  0  0
M  END
$$$$
m08.1___2-Pyridone
                    3D
 Schrodinger Suite 2021-4.
 12 12  0  0  1  0            999 V2000
   -0.0271    1.3491    0.0087 C   0  0  0  0  0  0
    0.0049   -0.0140    0.0013 C   0  0  0  0  0  0
    1.2284   -0.7159   -0.0135 C   0  0  0  0  0  0
    2.3764    0.0098   -0.0200 C   0  0  0  0  0  0
    2.3323    1.3604   -0.0126 N   0  0  0  0  0  0
    1.1793    2.1145    0.0014 C   0  0  0  0  0  0
    1.2536    3.3566    0.0068 O   0  0  0  0  0  0
   -0.9606    1.8967    0.0202 H   0  0  0  0  0  0
   -0.9266   -0.5695    0.0070 H   0  0  0  0  0  0
    1.2651   -1.7956   -0.0195 H   0  0  0  0  0  0
    3.3649   -0.4294   -0.0313 H   0  0  0  0  0  0
    3.2030    1.8774   -0.0175 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1  8  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  3  4  2  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  6  1  0  0  0
  5 12  1  0  0  0
  6  7  2  0  0  0
M  END
$$$$
m08.2___2-Pyridone
                    3D
 Schrodinger Suite 2021-4.
 12 12  0  0  1  0            999 V2000
   -0.1260    1.3290    0.0517 C   0  0  0  0  0  0
   -0.0254   -0.0411   -0.0604 C   0  0  0  0  0  0
    1.2323   -0.6379   -0.0502 C   0  0  0  0  0  0
    2.3354    0.1804    0.0737 C   0  0  0  0  0  0
    2.2614    1.5114    0.1835 N   0  0  0  0  0  0
    1.0575    2.0552    0.1706 C   0  0  0  0  0  0
    0.9697    3.3984    0.2796 O   0  0  0  0  0  0
   -1.0799    1.8405    0.0496 H   0  0  0  0  0  0
   -0.9213   -0.6438   -0.1553 H   0  0  0  0  0  0
    1.3504   -1.7102   -0.1361 H   0  0  0  0  0  0
    3.3354   -0.2410    0.0865 H   0  0  0  0  0  0
    1.8673    3.7521    0.3515 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1  8  1  0  0  0
  2  3  2  0  0  0
  2  9  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  2  0  0  0
  4 11  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7 12  1  0  0  0
M  END
$$$$
m09.1___Uracil
                    3D
 Schrodinger Suite 2021-4.
 12 12  0  0  1  0            999 V2000
   -0.0497    1.3614    0.0090 C   0  0  0  0  0  0
    0.0052    0.0168    0.0015 C   0  0  0  0  0  0
    1.1873   -0.6527   -0.0129 N   0  0  0  0  0  0
    1.1738    2.1124    0.0011 C   0  0  0  0  0  0
    2.3247    1.3400   -0.0132 N   0  0  0  0  0  0
    2.4007   -0.0252   -0.0203 C   0  0  0  0  0  0
    1.2652    3.3371    0.0061 O   0  0  0  0  0  0
    3.4624   -0.6299   -0.0321 O   0  0  0  0  0  0
   -0.9913    1.8888    0.0206 H   0  0  0  0  0  0
   -0.8793   -0.6063    0.0065 H   0  0  0  0  0  0
    1.1992   -1.6632   -0.0186 H   0  0  0  0  0  0
    3.2102    1.8318   -0.0183 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  6  1  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  4  7  2  0  0  0
  5  6  1  0  0  0
  5 12  1  0  0  0
  6  8  2  0  0  0
M  END
$$$$
m09.2___Uracil
                    3D
 Schrodinger Suite 2021-4.
 12 12  0  0  1  0            999 V2000
   -0.0527    1.3821    0.0094 C   0  0  0  0  0  0
   -0.0050    0.0291    0.0016 C   0  0  0  0  0  0
    1.1824   -0.6025   -0.0127 N   0  0  0  0  0  0
    1.2001    2.0320    0.0009 C   0  0  0  0  0  0
    2.3588    1.4215   -0.0127 N   0  0  0  0  0  0
    2.3937    0.0650   -0.0196 C   0  0  0  0  0  0
    1.1875    3.3617    0.0075 O   0  0  0  0  0  0
    3.4422   -0.5833   -0.0313 O   0  0  0  0  0  0
   -0.9815    1.9311    0.0210 H   0  0  0  0  0  0
   -0.8858   -0.5990    0.0063 H   0  0  0  0  0  0
    1.2161   -1.6132   -0.0189 H   0  0  0  0  0  0
    2.1031    3.6802    0.0004 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  6  1  0  0  0
  3 11  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  6  8  2  0  0  0
  7 12  1  0  0  0
M  END
$$$$
m09.3___Uracil
                    3D
 Schrodinger Suite 2021-4.
 12 12  0  0  1  0            999 V2000
   -0.0459    1.4137    0.0089 C   0  0  0  0  0  0
    0.0315    0.0288    0.0013 C   0  0  0  0  0  0
    1.1422   -0.6891   -0.0124 N   0  0  0  0  0  0
    1.1567    2.0827    0.0011 C   0  0  0  0  0  0
    2.2892    1.3639   -0.0137 N   0  0  0  0  0  0
    2.3232   -0.0301   -0.0197 C   0  0  0  0  0  0
    1.2138    3.4000    0.0079 O   0  0  0  0  0  0
    3.4256   -0.5821   -0.0319 O   0  0  0  0  0  0
   -0.9820    1.9501    0.0206 H   0  0  0  0  0  0
   -0.8948   -0.5388    0.0071 H   0  0  0  0  0  0
    3.1871    1.8361   -0.0191 H   0  0  0  0  0  0
    2.1242    3.7304    0.0020 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  2  0  0  0
  1  9  1  0  0  0
  2  3  2  0  0  0
  2 10  1  0  0  0
  3  6  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  6  8  2  0  0  0
  7 12  1  0  0  0
M  END
$$$$
m09.4___Uracil
                    3D
 Schrodinger Suite 2021-4.
 12 12  0  0  1  0            999 V2000
   -0.0141    1.3444    0.0088 C   0  0  0  0  0  0
    0.0196    0.0008    0.0015 C   0  0  0  0  0  0
    1.2178   -0.6450   -0.0131 N   0  0  0  0  0  0
    1.2262    2.0848    0.0007 C   0  0  0  0  0  0
    2.4051    1.3694   -0.0130 N   0  0  0  0  0  0
    2.3530    0.0760   -0.0195 C   0  0  0  0  0  0
    1.2567    3.3236    0.0054 O   0  0  0  0  0  0
    3.4495   -0.6673   -0.0333 O   0  0  0  0  0  0
   -0.9535    1.8783    0.0203 H   0  0  0  0  0  0
   -0.8580   -0.6307    0.0063 H   0  0  0  0  0  0
    1.2671   -1.6550   -0.0196 H   0  0  0  0  0  0
    4.2217   -0.0822   -0.0385 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  6  1  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  4  7  2  0  0  0
  5  6  2  0  0  0
  6  8  1  0  0  0
  8 12  1  0  0  0
M  END
$$$$
m09.5___Uracil
                    3D
 Schrodinger Suite 2021-4.
 12 12  0  0  1  0            999 V2000
   -0.0265    1.3532    0.0086 C   0  0  0  0  0  0
    0.0261   -0.0037    0.0012 C   0  0  0  0  0  0
    1.1693   -0.7386   -0.0130 N   0  0  0  0  0  0
    1.1898    2.0986    0.0013 C   0  0  0  0  0  0
    2.3222    1.2942   -0.0133 N   0  0  0  0  0  0
    2.2702   -0.0491   -0.0195 C   0  0  0  0  0  0
    1.3144    3.3242    0.0059 O   0  0  0  0  0  0
    3.4596   -0.6272   -0.0330 O   0  0  0  0  0  0
   -0.9660    1.8871    0.0200 H   0  0  0  0  0  0
   -0.8920   -0.5808    0.0066 H   0  0  0  0  0  0
    3.2276    1.7510   -0.0187 H   0  0  0  0  0  0
    3.3409   -1.5890   -0.0354 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  4  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  6  2  0  0  0
  4  5  1  0  0  0
  4  7  2  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  6  8  1  0  0  0
  8 12  1  0  0  0
M  END
$$$$
m09.6___Uracil
                    3D
 Schrodinger Suite 2021-4.
 12 12  0  0  1  0            999 V2000
   -0.1285    1.3284    0.1011 C   0  0  0  0  0  0
   -0.0782   -0.0364   -0.0442 C   0  0  0  0  0  0
    1.0602   -0.7280   -0.1701 N   0  0  0  0  0  0
    1.1047    1.9757    0.1093 C   0  0  0  0  0  0
    2.2498    1.3242   -0.0138 N   0  0  0  0  0  0
    2.1585    0.0058   -0.1457 C   0  0  0  0  0  0
    1.1425    3.3011    0.2468 O   0  0  0  0  0  0
    3.3027   -0.6758   -0.2698 O   0  0  0  0  0  0
   -1.0568    1.8713    0.2027 H   0  0  0  0  0  0
   -0.9940   -0.6172   -0.0621 H   0  0  0  0  0  0
    2.0667    3.5915    0.2311 H   0  0  0  0  0  0
    4.0395   -0.0493   -0.2469 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  4  2  0  0  0
  1  9  1  0  0  0
  2  3  2  0  0  0
  2 10  1  0  0  0
  3  6  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  6  8  1  0  0  0
  7 11  1  0  0  0
  8 12  1  0  0  0
M  END
$$$$
m10.1___Barbituric_acid
                    3D
 Schrodinger Suite 2021-4.
 19 19  0  0  1  0            999 V2000
    0.3775   -1.9175   -0.6158 N   0  0  0  0  0  0
   -0.8854   -1.4458   -0.3880 C   0  0  0  0  0  0
   -1.0300   -0.0165    0.0853 C   0  0  0  0  0  0
    0.2722    0.6414    0.4852 C   0  0  0  0  0  0
    1.4347   -0.0107    0.1813 N   0  0  0  0  0  0
    1.5536   -1.2619   -0.3636 C   0  0  0  0  0  0
    0.3061    1.7302    1.0218 O   0  0  0  0  0  0
    2.6340   -1.7629   -0.5975 O   0  0  0  0  0  0
   -1.5791    0.7864   -1.1082 C   0  0  0  0  0  0
   -2.0060    0.0309    1.2581 C   0  0  0  0  0  0
   -1.8486   -2.1530   -0.6029 O   0  0  0  0  0  0
    0.4658   -2.8563   -0.9876 H   0  0  0  0  0  0
    2.3053    0.4570    0.4060 H   0  0  0  0  0  0
   -2.5378    0.3647   -1.4103 H   0  0  0  0  0  0
   -1.7231    1.8234   -0.8049 H   0  0  0  0  0  0
   -0.8922    0.7550   -1.9567 H   0  0  0  0  0  0
   -2.1586    1.0653    1.5632 H   0  0  0  0  0  0
   -2.9623   -0.3907    0.9513 H   0  0  0  0  0  0
   -1.6257   -0.5373    2.1092 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2 11  2  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4  7  2  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  6  8  2  0  0  0
  9 14  1  0  0  0
  9 15  1  0  0  0
  9 16  1  0  0  0
 10 17  1  0  0  0
 10 18  1  0  0  0
 10 19  1  0  0  0
M  END
$$$$
m10.2___Barbituric_acid
                    3D
 Schrodinger Suite 2021-4.
 19 19  0  0  1  0            999 V2000
    0.0332    1.3291   -0.0046 N   0  0  0  0  0  0
    0.0342   -0.0114    0.2853 C   0  0  0  0  0  0
    1.3718   -0.6981    0.1696 C   0  0  0  0  0  0
    2.5430    0.2696    0.2923 C   0  0  0  0  0  0
    2.3815    1.5845   -0.0597 N   0  0  0  0  0  0
    1.1770    2.0300   -0.2008 C   0  0  0  0  0  0
    3.6388   -0.1431    0.6334 O   0  0  0  0  0  0
    0.9426    3.2779   -0.5357 O   0  0  0  0  0  0
    1.4742   -1.8295    1.1783 C   0  0  0  0  0  0
    1.4286   -1.2563   -1.2710 C   0  0  0  0  0  0
   -1.0008   -0.5827    0.5540 O   0  0  0  0  0  0
   -0.8543    1.8179   -0.0391 H   0  0  0  0  0  0
    0.6449   -2.5234    1.0437 H   0  0  0  0  0  0
    2.4071   -2.3709    1.0286 H   0  0  0  0  0  0
    1.4501   -1.4484    2.2010 H   0  0  0  0  0  0
    1.3487   -0.4624   -2.0163 H   0  0  0  0  0  0
    2.3772   -1.7766   -1.4097 H   0  0  0  0  0  0
    0.6099   -1.9627   -1.4155 H   0  0  0  0  0  0
    1.7877    3.7416   -0.6442 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2 11  2  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4  7  2  0  0  0
  5  6  2  0  0  0
  6  8  1  0  0  0
  8 19  1  0  0  0
  9 13  1  0  0  0
  9 14  1  0  0  0
  9 15  1  0  0  0
 10 16  1  0  0  0
 10 17  1  0  0  0
 10 18  1  0  0  0
M  END
$$$$
m10.3___Barbituric_acid
                    3D
 Schrodinger Suite 2021-4.
 19 19  0  0  1  0            999 V2000
   -0.0823    1.3170    0.0108 N   0  0  0  0  0  0
    0.0644    0.0400    0.0017 C   0  0  0  0  0  0
    1.3468   -0.7362   -0.0155 C   0  0  0  0  0  0
    2.5412    0.1909   -0.0212 C   0  0  0  0  0  0
    2.2835    1.5253   -0.0110 N   0  0  0  0  0  0
    1.0339    2.1160    0.0044 C   0  0  0  0  0  0
    3.6828   -0.2287   -0.0344 O   0  0  0  0  0  0
    0.9528    3.3311    0.0121 O   0  0  0  0  0  0
    1.4269   -1.6165    1.2396 C   0  0  0  0  0  0
    1.4036   -1.6003   -1.2829 C   0  0  0  0  0  0
   -1.0016   -0.7276    0.0069 O   0  0  0  0  0  0
    3.0787    2.1536   -0.0147 H   0  0  0  0  0  0
    0.6122   -2.3396    1.2331 H   0  0  0  0  0  0
    2.3756   -2.1527    1.2345 H   0  0  0  0  0  0
    1.3631   -1.0154    2.1486 H   0  0  0  0  0  0
    1.3242   -0.9878   -2.1829 H   0  0  0  0  0  0
    2.3519   -2.1371   -1.3015 H   0  0  0  0  0  0
    0.5888   -2.3233   -1.2712 H   0  0  0  0  0  0
   -1.7992   -0.1732    0.0168 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4  7  2  0  0  0
  5  6  1  0  0  0
  5 12  1  0  0  0
  6  8  2  0  0  0
  9 13  1  0  0  0
  9 14  1  0  0  0
  9 15  1  0  0  0
 10 16  1  0  0  0
 10 17  1  0  0  0
 10 18  1  0  0  0
 11 19  1  0  0  0
M  END
$$$$
m10.4___Barbituric_acid
                    3D
 Schrodinger Suite 2021-4.
 19 19  0  0  1  0            999 V2000
    1.4244    0.3532    0.1738 N   0  0  0  0  0  0
    0.2016    0.7604    0.2197 C   0  0  0  0  0  0
   -1.0072   -0.0842   -0.0090 C   0  0  0  0  0  0
   -0.6120   -1.5209   -0.3330 C   0  0  0  0  0  0
    0.7005   -1.8844   -0.3678 N   0  0  0  0  0  0
    1.5898   -0.9640   -0.1228 C   0  0  0  0  0  0
   -1.4929   -2.3401   -0.5558 O   0  0  0  0  0  0
    2.8651   -1.2987   -0.1531 O   0  0  0  0  0  0
   -1.8551   -0.0943    1.2717 C   0  0  0  0  0  0
   -1.8111    0.4879   -1.1834 C   0  0  0  0  0  0
   -0.0516    2.0154    0.4934 O   0  0  0  0  0  0
   -2.1928    0.9153    1.5051 H   0  0  0  0  0  0
   -2.7251   -0.7300    1.1082 H   0  0  0  0  0  0
   -1.2860   -0.4842    2.1178 H   0  0  0  0  0  0
   -1.2088    0.5235   -2.0933 H   0  0  0  0  0  0
   -2.6781   -0.1485   -1.3587 H   0  0  0  0  0  0
   -2.1543    1.4949   -0.9467 H   0  0  0  0  0  0
    2.9347   -2.2417   -0.3686 H   0  0  0  0  0  0
    0.7809    2.4951    0.6380 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4  7  2  0  0  0
  5  6  2  0  0  0
  6  8  1  0  0  0
  8 18  1  0  0  0
  9 12  1  0  0  0
  9 13  1  0  0  0
  9 14  1  0  0  0
 10 15  1  0  0  0
 10 16  1  0  0  0
 10 17  1  0  0  0
 11 19  1  0  0  0
M  END
$$$$
m10.5___Barbituric_acid
                    3D
 Schrodinger Suite 2021-4.
 19 19  0  0  1  0            999 V2000
   -0.0525    1.3091    0.0101 N   0  0  0  0  0  0
    0.0782    0.0345    0.0025 C   0  0  0  0  0  0
    1.3652   -0.7295   -0.0151 C   0  0  0  0  0  0
    2.4832    0.2656   -0.0191 C   0  0  0  0  0  0
    2.3688    1.5417   -0.0125 N   0  0  0  0  0  0
    1.0942    2.0911    0.0014 C   0  0  0  0  0  0
    3.6769   -0.2900   -0.0309 O   0  0  0  0  0  0
    0.9779    3.3077    0.0062 O   0  0  0  0  0  0
    1.4590   -1.6094    1.2409 C   0  0  0  0  0  0
    1.4352   -1.5908   -1.2856 C   0  0  0  0  0  0
   -0.9887   -0.7373    0.0095 O   0  0  0  0  0  0
    0.6379   -2.3254    1.2417 H   0  0  0  0  0  0
    2.4014   -2.1558    1.2315 H   0  0  0  0  0  0
    1.4059   -1.0057    2.1486 H   0  0  0  0  0  0
    1.3649   -0.9738   -2.1831 H   0  0  0  0  0  0
    2.3777   -2.1369   -1.3022 H   0  0  0  0  0  0
    0.6143   -2.3071   -1.2816 H   0  0  0  0  0  0
    4.3551    0.4049   -0.0328 H   0  0  0  0  0  0
   -1.7848   -0.1816    0.0196 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 10  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  6  8  2  0  0  0
  7 18  1  0  0  0
  9 12  1  0  0  0
  9 13  1  0  0  0
  9 14  1  0  0  0
 10 15  1  0  0  0
 10 16  1  0  0  0
 10 17  1  0  0  0
 11 19  1  0  0  0
M  END
$$$$
m11.1___2-Aminopyrimidine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
   -0.0213    1.4041    0.0451 C   0  0  0  0  0  0
    1.1774    2.0773   -0.0024 C   0  0  0  0  0  0
    2.3691    1.3554   -0.0299 C   0  0  0  0  0  0
    2.2796   -0.0212   -0.0121 C   0  0  0  0  0  0
    1.1313   -0.7002    0.0322 N   0  0  0  0  0  0
   -0.0058    0.0003    0.0646 C   0  0  0  0  0  0
   -1.1715   -0.7056    0.1640 N   0  0  0  0  0  0
   -0.9670    1.9332    0.0672 H   0  0  0  0  0  0
    1.1889    3.1614   -0.0204 H   0  0  0  0  0  0
    3.3327    1.8465   -0.0684 H   0  0  0  0  0  0
    3.1817   -0.6257   -0.0377 H   0  0  0  0  0  0
   -2.0140   -0.2264   -0.1108 H   0  0  0  0  0  0
   -1.1218   -1.6748   -0.1085 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1  8  1  0  0  0
  2  3  2  0  0  0
  2  9  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  2  0  0  0
  4 11  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7 12  1  0  0  0
  7 13  1  0  0  0
M  END
$$$$
m11.2a__2-Aminopyrimidine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
   -0.0143    1.4204    0.0107 C   0  0  0  0  0  0
    1.1632    2.0931    0.0028 C   0  0  0  0  0  0
    2.4049    1.4034   -0.0133 C   0  0  0  0  0  0
    2.3687    0.0499   -0.0207 C   0  0  0  0  0  0
    1.1885   -0.6159   -0.0128 N   0  0  0  0  0  0
   -0.0613   -0.0175    0.0032 C   0  0  0  0  0  0
   -1.1714   -0.6835    0.0106 N   0  0  0  0  0  0
   -0.9625    1.9425    0.0230 H   0  0  0  0  0  0
    1.1580    3.1776    0.0087 H   0  0  0  0  0  0
    3.3494    1.9277   -0.0198 H   0  0  0  0  0  0
    3.2535   -0.5727   -0.0331 H   0  0  0  0  0  0
   -0.9788   -1.6837    0.0033 H   0  0  0  0  0  0
    1.2145   -1.6266   -0.0194 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1  8  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  3  4  2  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  6  7  2  0  0  0
  7 12  1  0  0  0
M  END
$$$$
m11.2b__2-Aminopyrimidine
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
   -0.0180    1.4339    0.0110 C   0  0  0  0  0  0
    1.1635    2.1014    0.0029 C   0  0  0  0  0  0
    2.4005    1.4055   -0.0135 C   0  0  0  0  0  0
    2.3564    0.0507   -0.0206 C   0  0  0  0  0  0
    1.1758   -0.6079   -0.0124 N   0  0  0  0  0  0
   -0.0680   -0.0046    0.0034 C   0  0  0  0  0  0
   -1.1168   -0.7632    0.0094 N   0  0  0  0  0  0
   -0.9634    1.9627    0.0234 H   0  0  0  0  0  0
    1.1639    3.1861    0.0089 H   0  0  0  0  0  0
    3.3478    1.9245   -0.0202 H   0  0  0  0  0  0
    3.2386   -0.5754   -0.0331 H   0  0  0  0  0  0
    1.1841   -1.6186   -0.0183 H   0  0  0  0  0  0
   -1.9413   -0.1698    0.0208 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1  8  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  3  4  2  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  6  1  0  0  0
  5 12  1  0  0  0
  6  7  2  0  0  0
  7 13  1  0  0  0
M  END
$$$$
m12.1___Thioimidazole
                    3D
 Schrodinger Suite 2021-4.
 10 10  0  0  1  0            999 V2000
   -0.0333    1.4013    0.0109 C   0  0  0  0  0  0
    1.2434    1.8338    0.0007 C   0  0  0  0  0  0
    2.0400    0.7094   -0.0137 N   0  0  0  0  0  0
    1.2942   -0.4188   -0.0126 C   0  0  0  0  0  0
    0.0171    0.0246    0.0027 N   0  0  0  0  0  0
    1.8319   -2.0119   -0.0271 S   0  0  0  0  0  0
   -0.9628    1.9438    0.0233 H   0  0  0  0  0  0
    1.6523    2.8294    0.0023 H   0  0  0  0  0  0
    3.0475    0.7009   -0.0247 H   0  0  0  0  0  0
   -0.7782   -0.5937    0.0069 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  5  1  0  0  0
  1  7  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4  6  2  0  0  0
  5 10  1  0  0  0
M  END
$$$$
m12.2___Thioimidazole
                    3D
 Schrodinger Suite 2021-4.
 10 10  0  0  1  0            999 V2000
    0.0182    1.2646    0.1230 C   0  0  0  0  0  0
    1.2421    1.8082   -0.1166 C   0  0  0  0  0  0
    2.1264    0.7618   -0.0379 N   0  0  0  0  0  0
    1.4103   -0.3492    0.2405 C   0  0  0  0  0  0
    0.1270   -0.0901    0.3467 N   0  0  0  0  0  0
    2.1798   -1.9070    0.4192 S   0  0  0  0  0  0
   -0.9378    1.7635    0.1493 H   0  0  0  0  0  0
    1.5662    2.8130   -0.3303 H   0  0  0  0  0  0
    3.1256    0.8204   -0.1644 H   0  0  0  0  0  0
    1.0284   -2.5429    0.6928 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  5  1  0  0  0
  1  7  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  6 10  1  0  0  0
M  END
$$$$
m13.1___2-Aminothiazole
                    3D
 Schrodinger Suite 2021-4.
 10 10  0  0  1  0            999 V2000
   -0.0246    1.3022    0.0136 C   0  0  0  0  0  0
    1.2061    1.8604    0.0115 C   0  0  0  0  0  0
    2.3934    0.6126   -0.0585 S   0  0  0  0  0  0
    1.1225   -0.5717   -0.0779 C   0  0  0  0  0  0
   -0.0803   -0.0682   -0.0356 N   0  0  0  0  0  0
    1.3919   -1.8981   -0.1925 N   0  0  0  0  0  0
   -0.9476    1.8656    0.0541 H   0  0  0  0  0  0
    1.4856    2.9021    0.0477 H   0  0  0  0  0  0
    2.3053   -2.2132    0.0953 H   0  0  0  0  0  0
    0.6352   -2.5079    0.0814 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  5  1  0  0  0
  1  7  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  6  9  1  0  0  0
  6 10  1  0  0  0
M  END
$$$$
m13.2a__2-Aminothiazole
                    3D
 Schrodinger Suite 2021-4.
 10 10  0  0  1  0            999 V2000
   -0.0444    1.3708    0.0111 C   0  0  0  0  0  0
    1.1615    1.9493    0.0019 C   0  0  0  0  0  0
    2.4164    0.7400   -0.0173 S   0  0  0  0  0  0
    1.2359   -0.5767   -0.0129 C   0  0  0  0  0  0
   -0.0044   -0.0030    0.0031 N   0  0  0  0  0  0
    1.4389   -1.8408   -0.0221 N   0  0  0  0  0  0
   -1.0033    1.8675    0.0234 H   0  0  0  0  0  0
    1.3939    3.0020    0.0048 H   0  0  0  0  0  0
    2.4311   -2.0523   -0.0334 H   0  0  0  0  0  0
   -0.8336   -0.5780    0.0081 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  5  1  0  0  0
  1  7  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  6  2  0  0  0
  5 10  1  0  0  0
  6  9  1  0  0  0
M  END
$$$$
m13.2b__2-Aminothiazole
                    3D
 Schrodinger Suite 2021-4.
 10 10  0  0  1  0            999 V2000
   -0.0534    1.3744    0.0111 C   0  0  0  0  0  0
    1.1612    1.9333    0.0019 C   0  0  0  0  0  0
    2.4007    0.7089   -0.0177 S   0  0  0  0  0  0
    1.2073   -0.5874   -0.0127 C   0  0  0  0  0  0
   -0.0307   -0.0020    0.0032 N   0  0  0  0  0  0
    1.5266   -1.8273   -0.0227 N   0  0  0  0  0  0
   -1.0051    1.8848    0.0235 H   0  0  0  0  0  0
    1.4089    2.9824    0.0049 H   0  0  0  0  0  0
   -0.8695   -0.5636    0.0086 H   0  0  0  0  0  0
    0.6853   -2.4011   -0.0172 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  5  1  0  0  0
  1  7  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  6  2  0  0  0
  5  9  1  0  0  0
  6 10  1  0  0  0
M  END
$$$$
