1A
                    3D
 Schrodinger Suite 2021-4.
 12 12  0  0  1  0            999 V2000
    1.1114    3.1761    0.0080 C   0  0  0  0  0  0
   -1.2423    3.0764    0.0295 N   0  0  0  0  0  0
   -0.1318    3.7950    0.0227 C   0  0  0  0  0  0
   -1.2135    1.7574    0.0173 C   0  0  0  0  0  0
    1.1753    1.7934    0.0005 C   0  0  0  0  0  0
   -0.0126    1.0758    0.0080 C   0  0  0  0  0  0
   -0.2080    5.1496    0.0307 O   0  0  0  0  0  0
    2.0162    3.7658    0.0022 H   0  0  0  0  0  0
   -2.1408    1.2038    0.0190 H   0  0  0  0  0  0
    2.1279    1.2846   -0.0106 H   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 H   0  0  0  0  0  0
   -0.2381    5.5470   -0.8503 H   0  0  0  0  0  0
  1  5  1  0  0  0
  1  3  2  0  0  0
  1  8  1  0  0  0
  2  3  1  0  0  0
  2  4  2  0  0  0
  3  7  1  0  0  0
  4  6  1  0  0  0
  4  9  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6 11  1  0  0  0
  7 12  1  0  0  0
M  END
$$$$
1B
                    3D
 Schrodinger Suite 2021-4.
 12 12  0  0  1  0            999 V2000
    1.1638    2.0807    0.0021 C   0  0  0  0  0  0
    2.3580    0.0177   -0.0204 N   0  0  0  0  0  0
    2.3727    1.3642   -0.0133 C   0  0  0  0  0  0
    1.1838   -0.6637   -0.0128 C   0  0  0  0  0  0
   -0.0169    1.3977    0.0097 C   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0
    3.4365    1.9628   -0.0202 O   0  0  0  0  0  0
    1.1695    3.1606    0.0075 H   0  0  0  0  0  0
    3.1959   -0.4709   -0.0313 H   0  0  0  0  0  0
    1.1928   -1.7437   -0.0183 H   0  0  0  0  0  0
   -0.9561    1.9310    0.0171 H   0  0  0  0  0  0
   -0.9255   -0.5572    0.0083 H   0  0  0  0  0  0
  1  5  2  0  0  0
  1  3  1  0  0  0
  1  8  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  9  1  0  0  0
  3  7  2  0  0  0
  4  6  2  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  6 12  1  0  0  0
M  END
$$$$
2A
                    3D
 Schrodinger Suite 2021-4.
 18 19  0  0  1  0            999 V2000
    4.8921    3.2046    2.4183 C   0  0  0  0  0  0
    3.0275    2.3549    1.1820 C   0  0  0  0  0  0
    3.6564    2.6337    2.4075 C   0  0  0  0  0  0
    3.6965    2.6755   -0.0242 C   0  0  0  0  0  0
    5.5482    3.5195    1.2305 C   0  0  0  0  0  0
    4.9700    3.2639    0.0243 C   0  0  0  0  0  0
    1.8112    1.7988    1.1426 N   0  0  0  0  0  0
    1.2198    1.5310   -0.0014 C   0  0  0  0  0  0
    3.0656    2.3958   -1.2532 C   0  0  0  0  0  0
    1.8286    1.8240   -1.2281 C   0  0  0  0  0  0
   -0.0110    0.9628    0.0073 O   0  0  0  0  0  0
    5.3713    3.4169    3.3626 H   0  0  0  0  0  0
    3.1609    2.3963    3.3373 H   0  0  0  0  0  0
    6.5280    3.9723    1.2667 H   0  0  0  0  0  0
    5.4886    3.5121   -0.8900 H   0  0  0  0  0  0
    3.5498    2.6280   -2.1902 H   0  0  0  0  0  0
    1.3185    1.5976   -2.1527 H   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 H   0  0  0  0  0  0
  1  5  1  0  0  0
  1  3  2  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2  4  2  0  0  0
  2  7  1  0  0  0
  3 13  1  0  0  0
  4  6  1  0  0  0
  4  9  1  0  0  0
  5  6  2  0  0  0
  5 14  1  0  0  0
  6 15  1  0  0  0
  7  8  2  0  0  0
  8 10  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 16  1  0  0  0
 10 17  1  0  0  0
 11 18  1  0  0  0
M  END
$$$$
2B
                    3D
 Schrodinger Suite 2021-4.
 18 19  0  0  1  0            999 V2000
    4.6691    4.0143   -0.0208 O   0  0  0  0  0  0
    3.5972    2.0798   -0.0206 N   0  0  0  0  0  0
    3.6026    3.4244   -0.0139 C   0  0  0  0  0  0
    2.4042    4.1697    0.0015 C   0  0  0  0  0  0
    1.2056    3.5356    0.0090 C   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0
   -0.0164    1.3618    0.0095 C   0  0  0  0  0  0
    1.1889    2.0717    0.0018 C   0  0  0  0  0  0
    2.4121    1.3755   -0.0131 C   0  0  0  0  0  0
    2.4060   -0.0156   -0.0205 C   0  0  0  0  0  0
    1.2067   -0.6942   -0.0132 C   0  0  0  0  0  0
    4.4392    1.5985   -0.0305 H   0  0  0  0  0  0
    2.4419    5.2491    0.0069 H   0  0  0  0  0  0
    0.2837    4.0981    0.0208 H   0  0  0  0  0  0
   -0.9286   -0.5520    0.0083 H   0  0  0  0  0  0
   -0.9577    1.8913    0.0169 H   0  0  0  0  0  0
    3.3378   -0.5617   -0.0316 H   0  0  0  0  0  0
    1.2037   -1.7742   -0.0190 H   0  0  0  0  0  0
  1  3  2  0  0  0
  2  9  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 13  1  0  0  0
  5  8  1  0  0  0
  5 14  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  6 15  1  0  0  0
  7  8  1  0  0  0
  7 16  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 17  1  0  0  0
 11 18  1  0  0  0
M  END
$$$$
3A
                    3D
 Schrodinger Suite 2021-4.
 18 19  0  0  1  0            999 V2000
    1.9708    1.8412    3.6007 C   0  0  0  0  0  0
    1.8713    1.8263    1.2145 C   0  0  0  0  0  0
    1.2920    1.5397    2.4582 C   0  0  0  0  0  0
    3.1599    2.4155    1.1660 C   0  0  0  0  0  0
    3.2343    2.4258    3.5527 C   0  0  0  0  0  0
    3.8297    2.7127    2.3611 C   0  0  0  0  0  0
    1.2191    1.5307   -0.0014 C   0  0  0  0  0  0
    1.8085    1.8140   -1.1450 N   0  0  0  0  0  0
    3.7219    2.6872   -0.0966 C   0  0  0  0  0  0
    3.0115    2.3698   -1.2125 C   0  0  0  0  0  0
   -0.0110    0.9628    0.0073 O   0  0  0  0  0  0
    1.5218    1.6239    4.5586 H   0  0  0  0  0  0
    0.3129    1.0870    2.5107 H   0  0  0  0  0  0
    3.7499    2.6546    4.4737 H   0  0  0  0  0  0
    4.8100    3.1653    2.3375 H   0  0  0  0  0  0
    4.6994    3.1392   -0.1773 H   0  0  0  0  0  0
    3.4392    2.5768   -2.1824 H   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 H   0  0  0  0  0  0
  1  5  1  0  0  0
  1  3  2  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2  4  2  0  0  0
  2  7  1  0  0  0
  3 13  1  0  0  0
  4  6  1  0  0  0
  4  9  1  0  0  0
  5  6  2  0  0  0
  5 14  1  0  0  0
  6 15  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8 10  1  0  0  0
  9 10  2  0  0  0
  9 16  1  0  0  0
 10 17  1  0  0  0
 11 18  1  0  0  0
M  END
$$$$
3B
                    3D
 Schrodinger Suite 2021-4.
 18 19  0  0  1  0            999 V2000
   -1.0750    1.9453    0.0177 O   0  0  0  0  0  0
   -0.0162    1.3436    0.0094 C   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 N   0  0  0  0  0  0
    1.1662   -0.7173   -0.0129 C   0  0  0  0  0  0
    2.3723   -0.1267   -0.0217 C   0  0  0  0  0  0
    3.6998    3.3722   -0.0165 C   0  0  0  0  0  0
    3.6813    2.0051   -0.0237 C   0  0  0  0  0  0
    2.4572    1.3345   -0.0147 C   0  0  0  0  0  0
    1.2541    2.0772    0.0012 C   0  0  0  0  0  0
    1.3042    3.4710    0.0078 C   0  0  0  0  0  0
    2.5177    4.1013   -0.0009 C   0  0  0  0  0  0
   -0.8410   -0.4838    0.0078 H   0  0  0  0  0  0
    1.1153   -1.7961   -0.0182 H   0  0  0  0  0  0
    3.2716   -0.7246   -0.0342 H   0  0  0  0  0  0
    4.6464    3.8922   -0.0235 H   0  0  0  0  0  0
    4.6066    1.4484   -0.0362 H   0  0  0  0  0  0
    0.3914    4.0481    0.0199 H   0  0  0  0  0  0
    2.5574    5.1806    0.0042 H   0  0  0  0  0  0
  1  2  2  0  0  0
  2  9  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  5  2  0  0  0
  4 13  1  0  0  0
  5  8  1  0  0  0
  5 14  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  6 15  1  0  0  0
  7  8  1  0  0  0
  7 16  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 17  1  0  0  0
 11 18  1  0  0  0
M  END
$$$$
4A
                    3D
 Schrodinger Suite 2021-4.
 18 19  0  0  1  0            999 V2000
    3.6241    2.0763   -0.0218 C   0  0  0  0  0  0
    3.5974    3.3887   -0.0149 N   0  0  0  0  0  0
    2.4644    4.0841   -0.0005 C   0  0  0  0  0  0
    1.2426    3.4689    0.0083 C   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0
   -0.0164    1.3576    0.0095 C   0  0  0  0  0  0
    1.1955    2.0647    0.0017 C   0  0  0  0  0  0
    2.4226    1.3505   -0.0138 C   0  0  0  0  0  0
    2.4010   -0.0534   -0.0211 C   0  0  0  0  0  0
    1.2063   -0.7062   -0.0132 C   0  0  0  0  0  0
    2.5214    5.4403    0.0053 O   0  0  0  0  0  0
    4.5700    1.5552   -0.0336 H   0  0  0  0  0  0
    0.3328    4.0507    0.0204 H   0  0  0  0  0  0
   -0.9307   -0.5484    0.0076 H   0  0  0  0  0  0
   -0.9565    1.8891    0.0168 H   0  0  0  0  0  0
    3.3256   -0.6114   -0.0332 H   0  0  0  0  0  0
    1.1912   -1.7861   -0.0185 H   0  0  0  0  0  0
    2.5464    5.8291    0.8904 H   0  0  0  0  0  0
  1  8  1  0  0  0
  1  2  2  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 11  1  0  0  0
  4  7  1  0  0  0
  4 13  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  6 15  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 16  1  0  0  0
 10 17  1  0  0  0
 11 18  1  0  0  0
M  END
$$$$
4B
                    3D
 Schrodinger Suite 2021-4.
 18 19  0  0  1  0            999 V2000
   -4.7168    1.3339    0.0517 O   0  0  0  0  0  0
   -2.4290    3.9187    0.0461 C   0  0  0  0  0  0
   -3.5818    3.2323    0.0525 N   0  0  0  0  0  0
   -3.6284    1.8915    0.0452 C   0  0  0  0  0  0
   -2.4715    1.1183    0.0308 C   0  0  0  0  0  0
    1.1523    1.7790    0.0006 C   0  0  0  0  0  0
   -0.0126    1.0758    0.0080 C   0  0  0  0  0  0
   -1.2344    1.7687    0.0175 C   0  0  0  0  0  0
   -1.2194    3.2397    0.0313 C   0  0  0  0  0  0
    0.0232    3.9047    0.0234 C   0  0  0  0  0  0
    1.1690    3.1737    0.0085 C   0  0  0  0  0  0
   -2.4427    4.9986    0.0528 H   0  0  0  0  0  0
   -4.4166    3.7262    0.0625 H   0  0  0  0  0  0
   -2.5284    0.0398    0.0250 H   0  0  0  0  0  0
    2.0896    1.2425   -0.0113 H   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 H   0  0  0  0  0  0
    0.0645    4.9839    0.0296 H   0  0  0  0  0  0
    2.1191    3.6872    0.0028 H   0  0  0  0  0  0
  1  4  2  0  0  0
  2  9  2  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  5  8  2  0  0  0
  5 14  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  6 15  1  0  0  0
  7  8  1  0  0  0
  7 16  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 17  1  0  0  0
 11 18  1  0  0  0
M  END
$$$$
5A
                    3D
 Schrodinger Suite 2021-4.
 11 11  0  0  1  0            999 V2000
    3.1047    2.4130   -1.1633 C   0  0  0  0  0  0
    3.0385    2.3604    1.1349 C   0  0  0  0  0  0
    3.6622    2.6593    0.0131 N   0  0  0  0  0  0
    1.8402    1.8124    1.1386 N   0  0  0  0  0  0
    1.8503    1.8339   -1.2066 C   0  0  0  0  0  0
    1.2193    1.5308   -0.0014 C   0  0  0  0  0  0
   -0.0110    0.9628    0.0073 O   0  0  0  0  0  0
    3.6238    2.6619   -2.0771 H   0  0  0  0  0  0
    3.5208    2.5746    2.0771 H   0  0  0  0  0  0
    1.3710    1.6218   -2.1509 H   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 H   0  0  0  0  0  0
  1  5  1  0  0  0
  1  3  2  0  0  0
  1  8  1  0  0  0
  2  3  1  0  0  0
  2  4  2  0  0  0
  2  9  1  0  0  0
  4  6  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  7 11  1  0  0  0
M  END
$$$$
5B
                    3D
 Schrodinger Suite 2021-4.
 11 11  0  0  1  0            999 V2000
   -2.2451    1.0154    0.0181 O   0  0  0  0  0  0
   -1.1721    3.0359    0.0297 C   0  0  0  0  0  0
   -1.1890    1.6258    0.0165 C   0  0  0  0  0  0
   -0.0111    0.9658    0.0074 N   0  0  0  0  0  0
    1.1461    1.6562    0.0000 C   0  0  0  0  0  0
    1.1614    2.9625    0.0074 N   0  0  0  0  0  0
    0.0314    3.6735    0.0220 C   0  0  0  0  0  0
   -2.0941    3.5983    0.0411 H   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 H   0  0  0  0  0  0
    2.0820    1.1175   -0.0119 H   0  0  0  0  0  0
    0.0716    4.7528    0.0282 H   0  0  0  0  0  0
  1  3  2  0  0  0
  2  7  2  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  7 11  1  0  0  0
M  END
$$$$
5C
                    3D
 Schrodinger Suite 2021-4.
 11 11  0  0  1  0            999 V2000
    0.0021   -0.0041    0.0020 O   0  0  0  0  0  0
   -1.2465    1.9161    0.0183 C   0  0  0  0  0  0
   -0.0145    1.2170    0.0087 C   0  0  0  0  0  0
    1.1367    1.9122    0.0015 N   0  0  0  0  0  0
    1.1279    3.2181    0.0086 C   0  0  0  0  0  0
   -0.0239    3.9133    0.0234 N   0  0  0  0  0  0
   -1.2238    3.2687    0.0318 C   0  0  0  0  0  0
   -2.1843    1.3804    0.0195 H   0  0  0  0  0  0
    2.0666    3.7522    0.0029 H   0  0  0  0  0  0
    0.0005    4.8830    0.0284 H   0  0  0  0  0  0
   -2.1460    3.8307    0.0441 H   0  0  0  0  0  0
  1  3  2  0  0  0
  2  7  2  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 10  1  0  0  0
  7 11  1  0  0  0
M  END
$$$$
6A
                    3D
 Schrodinger Suite 2021-4.
 17 18  0  0  1  0            999 V2000
    1.1551    1.7797    0.0006 C   0  0  0  0  0  0
   -1.2303    1.7654    0.0174 C   0  0  0  0  0  0
   -0.0126    1.0758    0.0080 C   0  0  0  0  0  0
   -1.2313    3.1850    0.0300 C   0  0  0  0  0  0
    1.1549    3.1728    0.0072 C   0  0  0  0  0  0
   -0.0127    3.8761    0.0216 C   0  0  0  0  0  0
   -2.4799    1.1092    0.0201 C   0  0  0  0  0  0
   -3.5802    1.8377    0.0292 N   0  0  0  0  0  0
   -2.4768    3.8386    0.0450 C   0  0  0  0  0  0
   -3.5751    3.1185    0.0357 N   0  0  0  0  0  0
   -2.5484   -0.2443    0.0131 O   0  0  0  0  0  0
    2.0955    1.2486   -0.0109 H   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 H   0  0  0  0  0  0
    2.0950    3.7043    0.0003 H   0  0  0  0  0  0
    0.0015    4.9560    0.0269 H   0  0  0  0  0  0
   -2.5292    4.9174    0.0509 H   0  0  0  0  0  0
   -2.5639   -0.6419    0.8944 H   0  0  0  0  0  0
  1  5  1  0  0  0
  1  3  2  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2  7  2  0  0  0
  3 13  1  0  0  0
  4  6  1  0  0  0
  4  9  2  0  0  0
  5  6  2  0  0  0
  5 14  1  0  0  0
  6 15  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8 10  2  0  0  0
  9 10  1  0  0  0
  9 16  1  0  0  0
 11 17  1  0  0  0
M  END
$$$$
6B
                    3D
 Schrodinger Suite 2021-4.
 17 18  0  0  1  0            999 V2000
    1.0806    3.3339    0.0093 O   0  0  0  0  0  0
    1.1209    2.1164    0.0027 C   0  0  0  0  0  0
   -0.0168    1.3909    0.0097 N   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 N   0  0  0  0  0  0
    1.1052   -0.6912   -0.0122 C   0  0  0  0  0  0
    4.7849   -0.0136   -0.0424 C   0  0  0  0  0  0
    3.6043   -0.7024   -0.0357 C   0  0  0  0  0  0
    2.3961   -0.0028   -0.0209 C   0  0  0  0  0  0
    2.4081    1.4107   -0.0134 C   0  0  0  0  0  0
    3.6245    2.0921   -0.0209 C   0  0  0  0  0  0
    4.8009    1.3752   -0.0356 C   0  0  0  0  0  0
   -0.8705    1.8515    0.0162 H   0  0  0  0  0  0
    1.0689   -1.7706   -0.0173 H   0  0  0  0  0  0
    5.7183   -0.5569   -0.0535 H   0  0  0  0  0  0
    3.6060   -1.7824   -0.0419 H   0  0  0  0  0  0
    3.6444    3.1719   -0.0157 H   0  0  0  0  0  0
    5.7455    1.8987   -0.0415 H   0  0  0  0  0  0
  1  2  2  0  0  0
  2  9  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  5  2  0  0  0
  5  8  1  0  0  0
  5 13  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  6 14  1  0  0  0
  7  8  1  0  0  0
  7 15  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 16  1  0  0  0
 11 17  1  0  0  0
M  END
$$$$
7A
                    3D
 Schrodinger Suite 2021-4.
 12 11  0  0  1  0            999 V2000
   -0.7181    1.5718    1.2479 C   0  0  0  0  0  0
   -2.1868    1.7998    1.2263 C   0  0  0  0  0  0
   -0.0900    1.7761    2.2592 O   0  0  0  0  0  0
   -0.0127    1.0858    0.0080 C   0  0  0  0  0  0
   -2.8149    1.5955    0.2150 O   0  0  0  0  0  0
   -2.8921    2.2858    2.4662 C   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 H   0  0  0  0  0  0
    1.0099    1.4631    0.0003 H   0  0  0  0  0  0
   -0.5399    1.4469   -0.8751 H   0  0  0  0  0  0
   -2.9069    3.3757    2.4722 H   0  0  0  0  0  0
   -3.9147    1.9085    2.4739 H   0  0  0  0  0  0
   -2.3650    1.9247    3.3493 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  3  2  0  0  0
  1  4  1  0  0  0
  2  5  2  0  0  0
  2  6  1  0  0  0
  4  7  1  0  0  0
  4  8  1  0  0  0
  4  9  1  0  0  0
  6 10  1  0  0  0
  6 11  1  0  0  0
  6 12  1  0  0  0
M  END
$$$$
7B
                    3D
 Schrodinger Suite 2021-4.
 12 11  0  0  1  0            999 V2000
   -0.3813    3.8916    0.6086 C   0  0  0  0  0  0
   -1.5060    3.4493    2.6082 O   0  0  0  0  0  0
   -0.0127    1.0858    0.0080 C   0  0  0  0  0  0
   -1.1607    0.7730    2.0464 O   0  0  0  0  0  0
   -0.7181    1.5718    1.2479 C   0  0  0  0  0  0
   -0.8694    3.0107    1.4892 C   0  0  0  0  0  0
    0.1242    3.5433   -0.2799 H   0  0  0  0  0  0
   -0.4927    4.9510    0.7863 H   0  0  0  0  0  0
   -1.5566    4.4123    2.6800 H   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 H   0  0  0  0  0  0
    1.0099    1.4631    0.0003 H   0  0  0  0  0  0
   -0.5399    1.4469   -0.8751 H   0  0  0  0  0  0
  1  6  2  0  0  0
  1  7  1  0  0  0
  1  8  1  0  0  0
  2  6  1  0  0  0
  2  9  1  0  0  0
  3  5  1  0  0  0
  3 10  1  0  0  0
  3 11  1  0  0  0
  3 12  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
M  END
$$$$
10B
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
    1.3077    1.7629   -0.0010 N   0  0  0  0  0  0
    2.1218    0.6844   -0.0145 C   0  0  0  0  0  0
    1.3355   -0.4246   -0.0130 C   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0
   -0.0157    1.3041    0.0092 N   0  0  0  0  0  0
   -1.2072   -0.9034    0.0083 C   0  0  0  0  0  0
    3.4792    0.7047   -0.0270 O   0  0  0  0  0  0
    1.5899    2.6910    0.0013 H   0  0  0  0  0  0
    1.6795   -1.4483   -0.0214 H   0  0  0  0  0  0
   -1.5084   -1.1143   -1.0178 H   0  0  0  0  0  0
   -0.9628   -1.8373    0.5145 H   0  0  0  0  0  0
   -2.0249   -0.4090    0.5327 H   0  0  0  0  0  0
    3.8642    0.7151   -0.9139 H   0  0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  6 10  1  0  0  0
  6 11  1  0  0  0
  6 12  1  0  0  0
  7 13  1  0  0  0
M  END
$$$$
10C
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
   -0.9753    2.5905    4.4942 O   0  0  0  0  0  0
   -0.0127    1.0858    0.0080 C   0  0  0  0  0  0
   -2.0559    1.8249    1.3582 N   0  0  0  0  0  0
   -0.7181    1.5718    1.2479 C   0  0  0  0  0  0
   -0.1346    1.8360    2.4343 C   0  0  0  0  0  0
   -1.1398    2.2667    3.3318 C   0  0  0  0  0  0
   -2.3132    2.2538    2.6671 N   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 H   0  0  0  0  0  0
    1.0099    1.4631    0.0003 H   0  0  0  0  0  0
   -0.5399    1.4469   -0.8751 H   0  0  0  0  0  0
   -2.7141    1.7234    0.6530 H   0  0  0  0  0  0
    0.9169    1.7364    2.6600 H   0  0  0  0  0  0
   -3.1787    2.5009    3.0287 H   0  0  0  0  0  0
  1  6  2  0  0  0
  2  4  1  0  0  0
  2  8  1  0  0  0
  2  9  1  0  0  0
  2 10  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 12  1  0  0  0
  6  7  1  0  0  0
  7 13  1  0  0  0
M  END
$$$$
10D
                    3D
 Schrodinger Suite 2021-4.
 13 13  0  0  1  0            999 V2000
    1.3077    1.7629   -0.0010 N   0  0  0  0  0  0
    2.1218    0.6844   -0.0145 C   0  0  0  0  0  0
    1.3355   -0.4246   -0.0130 C   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0
   -0.0157    1.3041    0.0092 N   0  0  0  0  0  0
   -1.2072   -0.9034    0.0083 C   0  0  0  0  0  0
    3.4792    0.7047   -0.0270 O   0  0  0  0  0  0
    1.5899    2.6910    0.0013 H   0  0  0  0  0  0
    1.6795   -1.4483   -0.0214 H   0  0  0  0  0  0
   -1.5084   -1.1143   -1.0178 H   0  0  0  0  0  0
   -0.9628   -1.8373    0.5145 H   0  0  0  0  0  0
   -2.0249   -0.4090    0.5327 H   0  0  0  0  0  0
    3.8642    0.7151   -0.9139 H   0  0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  6 10  1  0  0  0
  6 11  1  0  0  0
  6 12  1  0  0  0
  7 13  1  0  0  0
M  END
$$$$
12D
                    3D
 Schrodinger Suite 2021-4.
 19 19  0  0  1  0            999 V2000
    0.0325   -3.2621   -1.5436 C   0  0  0  0  0  0
    0.0368   -2.0807    0.7200 N   0  0  0  0  0  0
    0.0242   -2.0783   -0.6807 N   0  0  0  0  0  0
   -0.0300   -0.3250   -2.5275 C   0  0  0  0  0  0
   -0.0030   -0.7945   -1.0958 C   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0
    0.0236   -0.8359    1.1315 C   0  0  0  0  0  0
    0.0290   -0.4231    2.4272 O   0  0  0  0  0  0
   -0.0184    1.5028    0.0103 C   0  0  0  0  0  0
   -0.9929   -3.5700   -1.7480 H   0  0  0  0  0  0
    0.5343   -3.0245   -2.4816 H   0  0  0  0  0  0
    0.5624   -4.0727   -1.0434 H   0  0  0  0  0  0
    0.9909   -0.1978   -2.8875 H   0  0  0  0  0  0
   -0.5428   -1.0644   -3.1427 H   0  0  0  0  0  0
   -0.5578    0.6268   -2.5878 H   0  0  0  0  0  0
   -0.8527   -0.3162    2.8096 H   0  0  0  0  0  0
    1.0042    1.8801    0.0026 H   0  0  0  0  0  0
   -0.5455    1.8639   -0.8728 H   0  0  0  0  0  0
   -0.5286    1.8543    0.9071 H   0  0  0  0  0  0
  1  3  1  0  0  0
  1 10  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  2  7  2  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  4 14  1  0  0  0
  4 15  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  8 16  1  0  0  0
  9 17  1  0  0  0
  9 18  1  0  0  0
  9 19  1  0  0  0
M  END
$$$$
12C
                    3D
 Schrodinger Suite 2021-4.
 19 19  0  0  1  0            999 V2000
   -1.2056   -0.9055    0.0087 C   0  0  0  0  0  0
    1.6940    3.1973    0.0031 C   0  0  0  0  0  0
    2.1247    0.6810   -0.0146 N   0  0  0  0  0  0
    1.2735    1.7940   -0.0005 N   0  0  0  0  0  0
   -1.2507    2.2083    0.0202 C   0  0  0  0  0  0
   -0.0162    1.3440    0.0094 C   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0
    1.3527   -0.4249   -0.0131 C   0  0  0  0  0  0
    1.7469   -1.5770   -0.0237 O   0  0  0  0  0  0
   -1.5066   -1.1173   -1.0173 H   0  0  0  0  0  0
   -0.9596   -1.8388    0.5152 H   0  0  0  0  0  0
   -2.0241   -0.4124    0.5330 H   0  0  0  0  0  0
    1.8081    3.5398    1.0315 H   0  0  0  0  0  0
    2.6459    3.2927   -0.5194 H   0  0  0  0  0  0
    0.9409    3.8035   -0.5004 H   0  0  0  0  0  0
    3.0945    0.7021   -0.0243 H   0  0  0  0  0  0
   -1.5433    2.4111    1.0504 H   0  0  0  0  0  0
   -1.0404    3.1485   -0.4896 H   0  0  0  0  0  0
   -2.0613    1.6904   -0.4925 H   0  0  0  0  0  0
  1  7  1  0  0  0
  1 10  1  0  0  0
  1 11  1  0  0  0
  1 12  1  0  0  0
  2  4  1  0  0  0
  2 13  1  0  0  0
  2 14  1  0  0  0
  2 15  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  4  6  1  0  0  0
  5  6  1  0  0  0
  5 17  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
M  END
$$$$
14D
                    3D
 Schrodinger Suite 2021-4.
 15 15  0  0  1  0            999 V2000
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0
    1.3699   -0.3824   -0.0131 C   0  0  0  0  0  0
    2.0345    0.7958   -0.0131 C   0  0  0  0  0  0
    1.1032    1.7604    0.0010 O   0  0  0  0  0  0
   -0.0156    1.3020    0.0092 N   0  0  0  0  0  0
    3.5292    0.9869   -0.0263 C   0  0  0  0  0  0
    1.9480   -1.7741   -0.0256 C   0  0  0  0  0  0
   -1.0723   -0.8332    0.0072 O   0  0  0  0  0  0
    3.8798    1.0385   -1.0571 H   0  0  0  0  0  0
    3.7817    1.9130    0.4901 H   0  0  0  0  0  0
    4.0074    0.1475    0.4784 H   0  0  0  0  0  0
    2.0778   -2.1043   -1.0563 H   0  0  0  0  0  0
    2.9139   -1.7709    0.4793 H   0  0  0  0  0  0
    1.2702   -2.4537    0.4910 H   0  0  0  0  0  0
   -1.3918   -1.0684   -0.8747 H   0  0  0  0  0  0
  1  5  2  0  0  0
  1  2  1  0  0  0
  1  8  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  6  1  0  0  0
  4  5  1  0  0  0
  6  9  1  0  0  0
  6 10  1  0  0  0
  6 11  1  0  0  0
  7 12  1  0  0  0
  7 13  1  0  0  0
  7 14  1  0  0  0
  8 15  1  0  0  0
M  END
$$$$
14C
                    3D
 Schrodinger Suite 2021-4.
 15 15  0  0  1  0            999 V2000
   -0.9986    2.0684    0.0183 O   0  0  0  0  0  0
    1.8949    3.1481    0.0004 C   0  0  0  0  0  0
    3.5327    0.4317   -0.0294 C   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 N   0  0  0  0  0  0
    1.1401   -0.4140   -0.0111 O   0  0  0  0  0  0
    2.0331    0.5802   -0.0142 C   0  0  0  0  0  0
    1.3433    1.7456   -0.0014 C   0  0  0  0  0  0
   -0.0162    1.3444    0.0094 C   0  0  0  0  0  0
    1.0715    3.8623    0.0122 H   0  0  0  0  0  0
    2.5148    3.2935    0.8851 H   0  0  0  0  0  0
    2.4972    3.3028   -0.8947 H   0  0  0  0  0  0
    3.7929   -0.6268   -0.0380 H   0  0  0  0  0  0
    3.9364    0.9124   -0.9204 H   0  0  0  0  0  0
    3.9534    0.9021    0.8594 H   0  0  0  0  0  0
   -0.7877   -0.5671    0.0070 H   0  0  0  0  0  0
  1  8  2  0  0  0
  2  7  1  0  0  0
  2  9  1  0  0  0
  2 10  1  0  0  0
  2 11  1  0  0  0
  3  6  1  0  0  0
  3 12  1  0  0  0
  3 13  1  0  0  0
  3 14  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  4 15  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
M  END
$$$$
15A
                    3D
 Schrodinger Suite 2021-4.
 23 24  0  0  1  0            999 V2000
   -2.8146    2.9673   -1.3674 C   0  0  0  0  0  0
   -1.7729    2.2681    0.7599 N   0  0  0  0  0  0
   -1.8265    2.3041   -0.6301 N   0  0  0  0  0  0
   -0.5624    1.4554   -2.3527 O   0  0  0  0  0  0
   -0.8014    1.6155   -1.1743 C   0  0  0  0  0  0
   -0.0127    1.0858    0.0080 C   0  0  0  0  0  0
   -0.7774    1.6019    1.2090 C   0  0  0  0  0  0
   -0.4306    1.3709    2.6572 C   0  0  0  0  0  0
   -4.8045    4.3034   -1.4424 C   0  0  0  0  0  0
   -3.8311    3.6502   -0.7121 C   0  0  0  0  0  0
   -4.7680    4.2777   -2.8245 C   0  0  0  0  0  0
   -2.7774    2.9486   -2.7556 C   0  0  0  0  0  0
   -3.7572    3.5986   -3.4800 C   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 H   0  0  0  0  0  0
    1.0027    1.4821    0.0004 H   0  0  0  0  0  0
    0.2265    2.1680    3.0051 H   0  0  0  0  0  0
   -1.3433    1.3664    3.2531 H   0  0  0  0  0  0
    0.0758    0.4113    2.7610 H   0  0  0  0  0  0
   -5.5952    4.8346   -0.9335 H   0  0  0  0  0  0
   -3.8606    3.6701    0.3673 H   0  0  0  0  0  0
   -5.5303    4.7893   -3.3933 H   0  0  0  0  0  0
   -1.9855    2.4225   -3.2681 H   0  0  0  0  0  0
   -3.7313    3.5807   -4.5595 H   0  0  0  0  0  0
  1  3  1  0  0  0
  1 10  2  0  0  0
  1 12  1  0  0  0
  2  7  2  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 14  1  0  0  0
  6 15  1  0  0  0
  7  8  1  0  0  0
  8 16  1  0  0  0
  8 17  1  0  0  0
  8 18  1  0  0  0
  9 10  1  0  0  0
  9 11  2  0  0  0
  9 19  1  0  0  0
 10 20  1  0  0  0
 11 13  1  0  0  0
 11 21  1  0  0  0
 12 13  2  0  0  0
 12 22  1  0  0  0
 13 23  1  0  0  0
M  END
$$$$
15B
                    3D
 Schrodinger Suite 2021-4.
 23 24  0  0  1  0            999 V2000
    0.0593   -3.2402    1.4609 C   0  0  0  0  0  0
    0.0221   -0.7747    1.0594 N   0  0  0  0  0  0
    0.0359   -2.1091    0.6333 N   0  0  0  0  0  0
    0.0298   -3.2072   -1.5275 O   0  0  0  0  0  0
    0.0234   -2.1113   -0.7264 C   0  0  0  0  0  0
   -0.0033   -0.8155   -1.1368 C   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0
   -0.0184    1.5028    0.0103 C   0  0  0  0  0  0
    0.7809   -4.3269    3.4727 C   0  0  0  0  0  0
    0.7596   -3.2108    2.6594 C   0  0  0  0  0  0
    0.1060   -5.4729    3.0942 C   0  0  0  0  0  0
   -0.6224   -4.3903    1.0865 C   0  0  0  0  0  0
   -0.5923   -5.5052    1.9011 C   0  0  0  0  0  0
   -0.8516   -3.5360   -1.7514 H   0  0  0  0  0  0
   -0.0224   -0.4734   -2.1610 H   0  0  0  0  0  0
    1.0042    1.8801    0.0026 H   0  0  0  0  0  0
   -0.5455    1.8639   -0.8728 H   0  0  0  0  0  0
   -0.5286    1.8543    0.9071 H   0  0  0  0  0  0
    1.3255   -4.3046    4.4051 H   0  0  0  0  0  0
    1.2875   -2.3162    2.9552 H   0  0  0  0  0  0
    0.1247   -6.3446    3.7315 H   0  0  0  0  0  0
   -1.1717   -4.4146    0.1569 H   0  0  0  0  0  0
   -1.1185   -6.4018    1.6081 H   0  0  0  0  0  0
  1  3  1  0  0  0
  1 10  2  0  0  0
  1 12  1  0  0  0
  2  7  2  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 15  1  0  0  0
  7  8  1  0  0  0
  8 16  1  0  0  0
  8 17  1  0  0  0
  8 18  1  0  0  0
  9 10  1  0  0  0
  9 11  2  0  0  0
  9 19  1  0  0  0
 10 20  1  0  0  0
 11 13  1  0  0  0
 11 21  1  0  0  0
 12 13  2  0  0  0
 12 22  1  0  0  0
 13 23  1  0  0  0
M  END
$$$$
15C
                    3D
 Schrodinger Suite 2021-4.
 23 24  0  0  1  0            999 V2000
    2.2850    1.5642   -0.0117 O   0  0  0  0  0  0
   -2.5392    1.3609    0.0201 C   0  0  0  0  0  0
   -1.1147    1.8527    0.0168 C   0  0  0  0  0  0
   -0.7213    3.1609    0.0259 N   0  0  0  0  0  0
    2.8603    4.2329   -0.0029 C   0  0  0  0  0  0
    3.6441    5.3700   -0.0051 C   0  0  0  0  0  0
    3.0521    6.6197    0.0063 C   0  0  0  0  0  0
    1.6741    6.7353    0.0196 C   0  0  0  0  0  0
    0.8845    5.6022    0.0170 C   0  0  0  0  0  0
    1.4760    4.3455    0.0109 C   0  0  0  0  0  0
    0.6794    3.1961    0.0127 N   0  0  0  0  0  0
    1.1209    1.9218    0.0017 C   0  0  0  0  0  0
   -0.0126    1.0758    0.0080 C   0  0  0  0  0  0
   -2.5474    0.2710    0.0146 H   0  0  0  0  0  0
   -3.0467    1.7236    0.9139 H   0  0  0  0  0  0
   -3.0539    1.7325   -0.8660 H   0  0  0  0  0  0
   -1.3098    3.9319    0.0357 H   0  0  0  0  0  0
    3.3232    3.2572   -0.0114 H   0  0  0  0  0  0
    4.7205    5.2831   -0.0155 H   0  0  0  0  0  0
    3.6673    7.5074    0.0045 H   0  0  0  0  0  0
    1.2149    7.7128    0.0281 H   0  0  0  0  0  0
   -0.1916    5.6932    0.0237 H   0  0  0  0  0  0
    0.0021   -0.0041    0.0020 H   0  0  0  0  0  0
  1 12  2  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  2 15  1  0  0  0
  2 16  1  0  0  0
  3 13  2  0  0  0
  3  4  1  0  0  0
  4 11  1  0  0  0
  4 17  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  5 18  1  0  0  0
  6  7  1  0  0  0
  6 19  1  0  0  0
  7  8  2  0  0  0
  7 20  1  0  0  0
  8  9  1  0  0  0
  8 21  1  0  0  0
  9 10  2  0  0  0
  9 22  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 23  1  0  0  0
M  END
$$$$
