0 mol 28 unq 0 iso 0 dist 7.56095 13.4544 9.20625 9.54812 7.37857 6.67638 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 7.56095 13.4544 9.20625 7.33943 4.7978 6.29954 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.9136 7.99283 8.33169 5.15435 8.08195 10.922 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.9136 7.99283 8.33169 6.10351 5.78587 5.18775 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 8.51096 13.9699 6.32539 11.6925 5.06241 5.05085 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 5.52283 6.87319 8.40154 5.7253 5.64989 9.12495 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 5.94417 9.18392 6.14769 5.72753 9.32166 11.0524 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 7.48283 9.18392 8.02616 5.72753 5.92729 11.0524 numMergedOcc 0
8 mol 135 unq 0 iso 0 dist 8.76367 6.79214 9.84219 10.4465 9.54038 10.268 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 9.58365 11.7272 9.2828 11.3572 6.61386 11.9449 numMergedOcc 0
10 mol 165 unq 0 iso 0 dist 6.78432 12.7545 8.01191 7.74322 6.08508 5.79543 numMergedOcc 0
11 mol 218 unq 0 iso 0 dist 9.27398 10.0598 9.94807 10.8446 6.45821 4.66436 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 8.81279 14.6666 7.01486 12.3496 9.23268 8.13432 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 8.81279 15.1244 8.86569 12.3496 9.23268 6.50127 numMergedOcc 0
14 mol 220 unq 2 iso 0 dist 8.81279 10.3793 9.06824 12.3496 9.23268 7.33192 numMergedOcc 0
15 mol 220 unq 3 iso 0 dist 9.57951 11.4142 7.01486 6.57369 9.23268 8.13432 numMergedOcc 0
16 mol 220 unq 4 iso 0 dist 9.57951 12.139 8.86569 6.57369 9.23268 6.50127 numMergedOcc 0
17 mol 220 unq 5 iso 0 dist 9.57951 9.51851 9.06824 6.57369 9.23268 7.33192 numMergedOcc 0
18 mol 230 unq 0 iso 0 dist 9.48167 6.0031 7.668 9.7405 7.74885 4.32828 numMergedOcc 0
19 mol 230 unq 1 iso 0 dist 9.2573 9.16661 7.668 9.97168 7.74885 4.32828 numMergedOcc 0
