0 mol 20 unq 0 iso 0 dist 9.4228 16.7341 9.74724 15.7908 6.55479 9.38691 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 9.4228 16.7341 9.74724 13.3583 4.11329 8.65986 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 9.4228 14.3516 9.13347 13.3583 4.11329 9.39462 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.80127 6.7846 7.18124 10.7243 14.4339 8.10168 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.48457 13.2846 7.18124 19.7575 14.4339 8.10168 numMergedOcc 0
5 mol 30 unq 0 iso 0 dist 9.27081 9.75637 8.28218 14.9766 7.07772 9.13786 numMergedOcc 0
6 mol 81 unq 0 iso 0 dist 6.4687 5.62545 7.15043 6.67147 4.0201 5.86142 numMergedOcc 0
7 mol 81 unq 1 iso 0 dist 6.4687 8.0518 5.70283 6.67147 4.0201 7.16741 numMergedOcc 0
8 mol 81 unq 2 iso 0 dist 6.67147 5.62545 5.86142 6.4687 4.0201 7.15043 numMergedOcc 0
9 mol 81 unq 3 iso 0 dist 6.67147 8.0518 7.16741 6.4687 4.0201 5.70283 numMergedOcc 0
10 mol 85 unq 0 iso 0 dist 8.77199 13.3089 9.43843 11.6471 3.94863 8.87977 numMergedOcc 0
11 mol 85 unq 1 iso 0 dist 8.81824 16.2205 9.43843 11.2465 3.94863 8.87977 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 8.99376 13.2837 5.16779 7.37948 4.05115 6.69121 numMergedOcc 0
13 mol 91 unq 1 iso 0 dist 7.37948 13.2837 6.69121 8.99376 4.05115 5.16779 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 8.69749 4.23405 9.24005 5.96576 4.14366 7.88846 numMergedOcc 0
15 mol 95 unq 1 iso 0 dist 5.96576 4.23405 7.88846 8.69749 4.14366 9.24005 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 8.86966 4.73288 7.78215 13.9586 15.2465 9.981 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 5.7527 4.70284 7.78215 14.1959 15.2465 9.981 numMergedOcc 0
18 mol 157 unq 0 iso 0 dist 7.52643 4.54378 5.32542 12.3163 7.44268 9.27485 numMergedOcc 0
19 mol 196 unq 0 iso 0 dist 6.11835 12.4987 8.94198 9.93668 4.06975 9.49159 numMergedOcc 0
20 mol 196 unq 1 iso 0 dist 6.11835 12.4987 8.94198 12.8028 8.37672 8.79306 numMergedOcc 0
21 mol 196 unq 2 iso 0 dist 9.93668 12.4987 9.49159 6.11835 4.06975 8.94198 numMergedOcc 0
22 mol 196 unq 3 iso 0 dist 9.93668 12.4987 9.49159 12.8028 8.80543 8.79306 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 7.23959 6.49049 8.42716 9.25331 5.97362 5.69652 numMergedOcc 0
24 mol 230 unq 0 iso 0 dist 9.0813 13.9138 8.46558 15.7303 7.09965 8.89873 numMergedOcc 0
25 mol 230 unq 1 iso 0 dist 5.94606 11.0218 8.46558 11.3476 7.09965 8.89873 numMergedOcc 0
26 mol 231 unq 0 iso 0 dist 7.31553 6.63423 5.45266 13.4744 6.57627 9.02803 numMergedOcc 0
27 mol 252 unq 0 iso 0 dist 7.48298 7.63636 9.84342 8.9483 4.31231 9.85159 numMergedOcc 0
28 mol 252 unq 1 iso 0 dist 8.9483 7.63636 9.85159 7.48298 4.31231 9.84342 numMergedOcc 0
29 mol 261 unq 0 iso 0 dist 9.00426 11.1348 7.8647 15.4005 6.88668 9.39727 numMergedOcc 0
30 mol 283 unq 0 iso 0 dist 8.25636 11.1503 9.90494 13.6728 12.4866 5.90121 numMergedOcc 0
31 mol 283 unq 1 iso 0 dist 9.51557 5.80629 5.90121 13.5454 12.4866 9.90494 numMergedOcc 0
