0 mol 56 unq 0 iso 0 dist 9.01516 16.3372 8.98797 11.9402 6.91393 5.73443 numMergedOcc 0
1 mol 56 unq 1 iso 0 dist 9.01516 16.3372 8.98797 11.5883 8.40038 11.075 numMergedOcc 0
2 mol 56 unq 2 iso 0 dist 7.31255 7.1144 8.98797 5.06308 6.91393 5.73443 numMergedOcc 0
3 mol 56 unq 3 iso 0 dist 7.31255 7.1144 8.98797 4.89692 8.40038 11.075 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 5.89661 11.2152 7.85041 6.10639 5.51624 9.97157 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 5.89661 11.2152 7.85041 12.8537 7.8674 8.01991 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 4.86701 9.57451 7.92876 10.3326 8.77841 5.7284 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 9.95533 10.6903 5.1101 13.1959 9.23528 6.29593 numMergedOcc 0
8 mol 147 unq 1 iso 0 dist 9.95533 15.5982 7.01133 13.1959 9.23528 11.2831 numMergedOcc 0
9 mol 147 unq 2 iso 0 dist 7.94147 12.5048 5.1101 16.9873 9.23528 6.29593 numMergedOcc 0
10 mol 147 unq 3 iso 0 dist 7.94147 12.2623 7.01133 16.9873 9.23528 11.2831 numMergedOcc 0
11 mol 156 unq 0 iso 0 dist 9.40992 6.71274 6.87906 9.19636 5.90883 10.5496 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 9.40992 10.5172 8.49473 9.19636 5.90883 13.3907 numMergedOcc 0
13 mol 156 unq 2 iso 0 dist 9.40992 11.7545 7.94975 9.19636 5.90883 9.19336 numMergedOcc 0
14 mol 156 unq 3 iso 0 dist 9.40992 8.15753 9.39865 9.19636 5.90883 4.24398 numMergedOcc 0
15 mol 156 unq 4 iso 0 dist 7.44879 7.81605 6.87906 13.3524 5.90883 10.5496 numMergedOcc 0
16 mol 156 unq 5 iso 0 dist 7.44879 5.70108 8.49473 13.3524 5.90883 13.3907 numMergedOcc 0
17 mol 156 unq 6 iso 0 dist 7.44879 11.6326 7.94975 13.3524 5.90883 9.19336 numMergedOcc 0
18 mol 156 unq 7 iso 0 dist 7.44879 16.5468 9.39865 13.3524 5.90883 4.24398 numMergedOcc 0
19 mol 156 unq 8 iso 0 dist 7.64275 7.81605 9.54367 10.5411 4.9941 14.2138 numMergedOcc 0
20 mol 156 unq 9 iso 0 dist 7.64275 7.81605 9.54367 13.3524 8.06913 10.5496 numMergedOcc 0
21 mol 156 unq 10 iso 0 dist 7.64275 11.6326 7.26859 10.5411 4.9941 10.1294 numMergedOcc 0
22 mol 156 unq 11 iso 0 dist 7.64275 11.6326 7.26859 13.3524 8.06913 9.19336 numMergedOcc 0
23 mol 163 unq 0 iso 0 dist 8.67619 5.51913 8.21476 6.36862 7.3546 9.79955 numMergedOcc 0
24 mol 163 unq 1 iso 0 dist 8.67619 11.5521 7.66897 6.36862 7.3546 12.6283 numMergedOcc 0
25 mol 171 unq 0 iso 0 dist 6.27462 5.93464 5.73148 12.4068 7.82546 7.48646 numMergedOcc 0
26 mol 173 unq 0 iso 0 dist 6.22848 5.21474 7.79505 5.00988 9.29264 9.93057 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 9.03496 5.25258 9.59034 5.37893 7.23293 8.37278 numMergedOcc 0
28 mol 193 unq 0 iso 0 dist 7.46207 6.6036 8.76185 11.6364 5.44396 11.5632 numMergedOcc 0
29 mol 193 unq 1 iso 0 dist 7.46207 6.6036 8.76185 8.4769 6.22972 5.08201 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 9.62121 5.30958 7.61203 11.8352 9.89583 10.6355 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 9.62121 7.68455 9.47845 11.8352 9.89583 6.48619 numMergedOcc 0
32 mol 238 unq 2 iso 0 dist 9.62121 6.2139 6.92409 11.8352 9.89583 5.8333 numMergedOcc 0
33 mol 238 unq 3 iso 0 dist 9.62121 12.3809 6.89694 11.8352 9.89583 16.1577 numMergedOcc 0
34 mol 238 unq 4 iso 0 dist 9.28463 15.9901 9.42618 8.09178 9.89583 18.0054 numMergedOcc 0
35 mol 250 unq 0 iso 0 dist 9.84682 10.875 8.70484 7.23699 9.60364 6.11942 numMergedOcc 0
36 mol 250 unq 1 iso 0 dist 8.26719 6.39204 8.70484 11.6387 9.60364 6.11942 numMergedOcc 0
