0 mol 8 unq 0 iso 0 dist 6.96907 9.08552 7.38068 13.7837 15.1676 9.01112 15.2421 11.9112 7.12261 9.62879 17.0724 16.336 12.536 8.4069 8.96553 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.15471 6.21616 3.83262 5.61445 9.30471 6.42835 8.82587 6.88552 5.01101 5.05803 12.5048 12.8949 11.0298 6.92781 6.31718 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 9.15471 9.45103 5.7598 5.61445 9.30471 6.57331 8.82587 6.88552 4.65873 5.05803 12.5048 12.8949 8.43054 6.92781 6.31718 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 9.15471 9.45103 5.7598 12.5048 12.8949 8.43054 8.82587 6.88552 4.65873 6.31718 5.61445 9.30471 6.57331 6.92781 5.05803 numMergedOcc 0
4 mol 16 unq 3 iso 0 dist 9.15471 9.45103 5.7598 12.5048 12.8949 8.43054 17.6238 15.1225 9.81307 7.63133 16.1606 16.6039 11.1513 5.32694 5.46498 numMergedOcc 0
5 mol 16 unq 4 iso 0 dist 9.15471 9.45103 5.7598 12.5048 12.8949 8.43054 17.6238 15.1225 9.81307 7.63133 21.6828 22.2062 16.7405 10.4155 8.71745 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.26536 4.79891 6.40382 4.72129 9.4286 7.02507 8.05602 12.5137 7.03983 6.48948 12.0507 15.9063 9.89095 9.51923 5.08437 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.26536 4.79891 6.40382 4.72129 9.4286 7.02507 8.05602 12.5137 7.03983 6.48948 12.0339 17.163 12.7417 9.42358 6.10456 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 8.09751 5.30117 6.55074 5.92158 9.27725 5.35782 5.70279 11.3776 5.47563 7.47343 5.85449 13.9516 9.94341 8.8807 6.65086 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 8.09751 5.30117 6.55074 5.92158 9.27725 5.35782 5.70279 11.3776 5.47563 7.47343 7.68675 13.081 9.82522 12.6515 6.56369 numMergedOcc 0
10 mol 100 unq 2 iso 0 dist 8.09751 5.30117 6.55074 5.92158 9.27725 5.35782 5.70279 11.3776 5.47563 7.47343 9.53223 17.0478 13.4844 13.887 9.30209 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 7.26325 8.46972 9.14454 10.1294 13.7657 5.51197 17.6185 20.4783 12.1739 8.54584 12.092 17.3034 9.97604 4.61027 8.53613 numMergedOcc 0
12 mol 142 unq 0 iso 0 dist 7.21779 5.90339 4.65943 8.68855 10.1001 7.81207 7.15087 9.15453 4.67662 9.2313 5.50176 9.78089 6.14151 5.32922 5.31024 numMergedOcc 0
13 mol 142 unq 1 iso 0 dist 7.21779 5.90339 4.65943 8.68855 10.1001 7.81207 10.5719 9.78965 5.81599 7.73169 5.50176 9.78089 6.14151 5.32922 7.26382 numMergedOcc 0
14 mol 142 unq 2 iso 0 dist 7.21779 5.90339 4.65943 5.50176 9.78089 6.14151 7.15087 9.15453 4.67662 5.31024 8.68855 10.1001 7.81207 5.32922 9.2313 numMergedOcc 0
15 mol 142 unq 3 iso 0 dist 7.21779 5.90339 4.65943 5.50176 9.78089 6.14151 10.5719 9.78965 5.81599 7.26382 8.68855 10.1001 7.81207 5.32922 7.73169 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 8.3622 8.14405 10.5172 7.92939 14.5301 8.97626 12.7322 15.7247 9.16779 7.46303 13.1804 18.4694 12.9034 5.71071 6.23493 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 5.07376 5.88041 4.67513 13.1803 12.6229 8.08349 10.6043 8.00193 5.13732 6.61986 14.0352 14.3473 11.2501 9.54151 9.40098 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 8.18749 5.31916 5.81697 8.98459 12.1716 6.99769 10.1632 10.5034 5.76843 6.65832 9.81806 14.526 8.79428 6.77699 6.60589 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 8.18749 5.31916 5.81697 8.98459 12.1716 6.99769 10.1632 10.5034 5.76843 6.65832 5.99647 10.0508 6.8692 11.328 9.16166 numMergedOcc 0
20 mol 224 unq 3 iso 0 dist 8.18749 5.31916 5.81697 9.81806 14.526 8.79428 9.73411 11.2298 7.05804 6.57273 14.1073 18.8009 13.2325 4.70378 8.95269 numMergedOcc 0
21 mol 224 unq 4 iso 0 dist 8.18749 5.31916 5.81697 9.81806 14.526 8.79428 9.73411 11.2298 7.05804 6.57273 5.99647 10.0508 6.8692 8.49799 5.78342 numMergedOcc 0
22 mol 224 unq 5 iso 0 dist 8.18749 5.31916 5.81697 9.81806 14.526 8.79428 10.1632 10.5034 5.76843 6.60589 8.98459 12.1716 6.99769 6.77699 6.65832 numMergedOcc 0
23 mol 224 unq 6 iso 0 dist 8.18749 5.31916 5.81697 9.81806 14.526 8.79428 10.1632 10.5034 5.76843 6.60589 5.99647 10.0508 6.8692 8.49799 9.16166 numMergedOcc 0
24 mol 224 unq 7 iso 0 dist 8.18749 5.31916 5.81697 5.99647 10.0508 6.8692 9.73411 11.2298 7.05804 5.78342 14.1073 18.8009 13.2325 11.5372 8.95269 numMergedOcc 0
25 mol 224 unq 8 iso 0 dist 8.18749 5.31916 5.81697 5.99647 10.0508 6.8692 9.73411 11.2298 7.05804 5.78342 9.81806 14.526 8.79428 8.49799 6.57273 numMergedOcc 0
26 mol 224 unq 9 iso 0 dist 8.18749 5.31916 5.81697 5.99647 10.0508 6.8692 10.1632 10.5034 5.76843 9.16166 8.98459 12.1716 6.99769 11.328 6.65832 numMergedOcc 0
27 mol 224 unq 10 iso 0 dist 8.18749 5.31916 5.81697 5.99647 10.0508 6.8692 10.1632 10.5034 5.76843 9.16166 9.81806 14.526 8.79428 8.49799 6.60589 numMergedOcc 0
28 mol 273 unq 0 iso 0 dist 7.84151 8.28809 8.8839 6.69098 12.9809 9.59325 13.6003 19.5154 12.2939 9.01049 13.5902 19.8198 14.6946 7.03728 6.92774 numMergedOcc 0
29 mol 273 unq 1 iso 0 dist 7.84151 8.28809 8.8839 6.69098 12.9809 9.59325 13.6003 19.5154 12.2939 9.01049 11.0449 18.8362 15.4762 8.05475 9.2983 numMergedOcc 0
30 mol 273 unq 2 iso 0 dist 7.85797 8.28809 7.90253 6.69098 9.37841 9.59325 13.6003 9.71586 12.2939 9.01049 13.5902 13.6353 14.6946 7.03728 6.92774 numMergedOcc 0
31 mol 273 unq 3 iso 0 dist 7.85797 8.28809 7.90253 6.69098 9.37841 9.59325 13.6003 9.71586 12.2939 9.01049 11.0449 10.4633 15.4762 8.05475 9.2983 numMergedOcc 0
32 mol 280 unq 0 iso 0 dist 6.38295 6.16546 4.06908 8.30978 5.41639 6.02353 8.80588 8.26589 4.90315 6.53701 5.80223 7.96485 6.86234 5.51836 6.0664 numMergedOcc 0
33 mol 280 unq 1 iso 0 dist 6.38295 6.16546 4.06908 5.80223 7.96485 6.86234 8.80588 8.26589 4.90315 6.0664 8.30978 5.41639 6.02353 5.51836 6.53701 numMergedOcc 0
