0 mol 92 unq 0 iso 0 dist 8.99661 5.41023 6.61823 4.57682 6.98037 5.31547 11.1617 8.67827 9.75237 6.59716 numMergedOcc 0
1 mol 92 unq 1 iso 0 dist 8.99661 5.41023 6.61823 8.67704 6.9223 4.3481 11.1617 8.67827 9.75237 6.87506 numMergedOcc 0
2 mol 112 unq 0 iso 0 dist 9.67948 11.4909 6.43433 7.04523 5.43933 10.5563 14.1799 5.91698 11.5768 7.67238 numMergedOcc 0
3 mol 112 unq 1 iso 0 dist 9.67948 11.4909 6.43433 12.703 7.44041 6.75738 21.357 15.0784 12.9739 8.72725 numMergedOcc 0
4 mol 112 unq 2 iso 0 dist 9.67948 13.1737 9.92283 7.04523 5.43933 12.6108 14.1799 5.91698 14.3677 7.67238 numMergedOcc 0
5 mol 112 unq 3 iso 0 dist 9.67948 13.1737 9.92283 12.703 7.44041 5.43385 21.357 15.0784 10.1861 8.72725 numMergedOcc 0
6 mol 112 unq 4 iso 0 dist 6.55773 10.3209 6.43433 6.00039 5.43933 10.5563 10.5005 5.91698 11.5768 7.67238 numMergedOcc 0
7 mol 112 unq 5 iso 0 dist 6.55773 10.3209 6.43433 12.7907 7.44041 6.75738 21.1658 15.0784 12.9739 8.72725 numMergedOcc 0
8 mol 112 unq 6 iso 0 dist 6.55773 13.9635 9.92283 6.00039 5.43933 12.6108 10.5005 5.91698 14.3677 7.67238 numMergedOcc 0
9 mol 112 unq 7 iso 0 dist 6.55773 13.9635 9.92283 12.7907 7.44041 5.43385 21.1658 15.0784 10.1861 8.72725 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 9.89116 9.70986 7.77116 13.4766 9.57341 9.68677 18.4036 14.8901 17.8739 8.67537 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 7.83401 6.89903 8.56003 9.97336 9.05336 6.11469 14.9039 10.0747 14.5979 9.94998 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 6.78772 7.862 6.69515 12.017 6.77921 13.2918 6.35397 5.38571 11.0743 6.65731 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 6.78772 5.64577 7.86572 12.017 6.77921 13.4066 6.35397 5.38571 9.97343 6.65731 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 8.15524 14.6279 7.88319 3.96267 6.11331 13.7172 7.13199 10.8263 14.6377 9.97968 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 6.84316 5.64932 7.28841 6.26268 8.17226 8.0472 11.2571 5.80425 11.0128 8.92115 numMergedOcc 0
16 mol 188 unq 0 iso 0 dist 7.98533 6.33907 8.57261 8.40761 7.79115 9.71636 10.1528 5.0782 7.14503 8.66624 numMergedOcc 0
17 mol 212 unq 0 iso 0 dist 8.27217 7.30329 8.74585 8.95521 9.22129 3.9436 11.23 4.21442 8.69988 9.10288 numMergedOcc 0
18 mol 212 unq 1 iso 0 dist 8.27217 7.30329 8.74585 8.95521 9.22129 3.9436 11.3299 6.69225 8.55903 6.19798 numMergedOcc 0
19 mol 212 unq 2 iso 0 dist 8.27217 7.30329 8.74585 8.95521 9.22129 3.9436 14.6125 11.0496 10.6618 7.24895 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 9.00798 6.57025 6.11473 7.92795 9.39658 5.6214 14.8226 17.2823 12.9597 8.09509 numMergedOcc 0
