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 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.15471 6.21616 3.83262 5.70228 10.3488 7.65889 8.59049 9.30655 6.86055 4.7319 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 9.15471 6.21616 3.83262 5.61445 9.30471 6.42835 8.82587 6.88552 5.01101 5.05803 numMergedOcc 0
3 mol 16 unq 2 iso 0 dist 9.15471 9.45103 5.7598 5.61445 9.30471 6.57331 8.82587 6.88552 4.65873 5.05803 numMergedOcc 0
4 mol 16 unq 3 iso 0 dist 9.15471 9.45103 5.7598 12.5048 12.8949 8.43054 8.82587 6.88552 4.65873 6.31718 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 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 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 8.09751 5.30117 6.55074 5.92158 9.27725 5.35782 8.96916 12.7068 6.30222 6.45675 numMergedOcc 0
8 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 numMergedOcc 0
9 mol 100 unq 2 iso 0 dist 8.09751 5.30117 6.55074 5.92158 9.27725 5.35782 9.71692 5.49021 5.03232 8.86688 numMergedOcc 0
10 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 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 6.21554 9.58844 6.5713 7.21973 9.0918 6.93139 9.77934 5.21262 4.97996 8.70949 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 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 numMergedOcc 0
14 mol 142 unq 2 iso 0 dist 7.21779 5.90339 4.65943 8.68855 10.1001 7.81207 15.3413 14.227 11.1 8.96657 numMergedOcc 0
15 mol 142 unq 3 iso 0 dist 7.21779 5.90339 4.65943 5.50176 9.78089 6.14151 7.15087 9.15453 4.67662 5.31024 numMergedOcc 0
16 mol 142 unq 4 iso 0 dist 7.21779 5.90339 4.65943 5.50176 9.78089 6.14151 10.5719 9.78965 5.81599 7.26382 numMergedOcc 0
17 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 numMergedOcc 0
18 mol 155 unq 1 iso 0 dist 8.3622 8.14405 10.5172 7.92939 14.5301 8.97626 5.68636 8.78324 4.91785 6.43582 numMergedOcc 0
19 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 numMergedOcc 0
20 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 numMergedOcc 0
21 mol 224 unq 2 iso 0 dist 8.18749 5.31916 5.81697 9.81806 14.526 8.79428 9.73411 11.2298 7.05804 6.57273 numMergedOcc 0
22 mol 224 unq 3 iso 0 dist 8.18749 5.31916 5.81697 9.81806 14.526 8.79428 10.1632 10.5034 5.76843 6.60589 numMergedOcc 0
23 mol 224 unq 4 iso 0 dist 8.18749 5.31916 5.81697 5.99647 10.0508 6.8692 9.73411 11.2298 7.05804 5.78342 numMergedOcc 0
24 mol 224 unq 5 iso 0 dist 8.18749 5.31916 5.81697 5.99647 10.0508 6.8692 10.1632 10.5034 5.76843 9.16166 numMergedOcc 0
25 mol 224 unq 6 iso 0 dist 8.18749 5.31916 5.81697 5.99647 10.0508 6.8692 7.75485 5.95421 4.54188 5.81334 numMergedOcc 0
26 mol 243 unq 0 iso 0 dist 7.2154 5.54003 4.4421 7.95216 12.6123 8.67156 12.7318 12.9463 9.89868 8.23192 numMergedOcc 0
27 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 numMergedOcc 0
28 mol 273 unq 1 iso 0 dist 7.85797 8.28809 7.90253 6.69098 9.37841 9.59325 13.6003 9.71586 12.2939 9.01049 numMergedOcc 0
29 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 numMergedOcc 0
30 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 numMergedOcc 0
