0 mol 28 unq 0 iso 0 dist 9.27002 8.11492 8.02162 13.8415 5.65052 8.92334 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 6.95094 6.35914 8.14547 7.32265 10.0459 9.66175 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 8.6308 4.28396 5.28331 7.94379 5.12529 7.01987 numMergedOcc 0
3 mol 101 unq 0 iso 0 dist 9.1109 4.80201 8.83779 7.11476 4.39441 8.2549 numMergedOcc 0
4 mol 101 unq 1 iso 0 dist 5.51185 4.80201 8.91685 7.11476 4.84084 8.2549 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 8.86071 4.36262 9.35938 12.9603 12.4571 9.13689 numMergedOcc 0
6 mol 142 unq 0 iso 0 dist 5.1557 6.61855 5.79144 11.6613 7.46089 6.81144 numMergedOcc 0
7 mol 142 unq 1 iso 0 dist 9.5355 5.19808 5.79144 7.21779 7.46089 6.81144 numMergedOcc 0
8 mol 176 unq 0 iso 0 dist 7.02608 5.5435 8.56192 12.7052 13.5195 9.40138 numMergedOcc 0
9 mol 176 unq 1 iso 0 dist 7.02608 10.9534 7.77962 17.6546 11.0964 9.84239 numMergedOcc 0
10 mol 176 unq 2 iso 0 dist 7.02608 12.9083 8.6431 17.6546 11.0964 9.1728 numMergedOcc 0
11 mol 193 unq 0 iso 0 dist 9.16852 11.2707 6.63784 7.71716 3.53549 9.73679 numMergedOcc 0
12 mol 193 unq 1 iso 0 dist 8.6538 5.10716 6.63784 10.3933 3.53549 9.73679 numMergedOcc 0
13 mol 193 unq 2 iso 0 dist 5.19654 4.40965 6.63784 8.71993 3.53549 9.73679 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 8.21112 6.20494 9.88692 6.02053 8.82544 4.93303 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 7.06533 5.10421 9.88692 7.41663 8.82544 4.93303 numMergedOcc 0
16 mol 205 unq 2 iso 0 dist 7.14871 7.7423 6.11886 16.9001 12.6987 9.95859 numMergedOcc 0
17 mol 205 unq 3 iso 0 dist 5.94835 14.6973 9.88692 13.9502 8.82544 4.93303 numMergedOcc 0
18 mol 213 unq 0 iso 0 dist 8.84278 9.28886 6.81437 17.1661 11.9207 8.22178 numMergedOcc 0
19 mol 239 unq 0 iso 0 dist 7.31087 7.54838 7.01673 10.8816 6.78632 4.44509 numMergedOcc 0
20 mol 247 unq 0 iso 0 dist 9.48468 6.6862 9.42253 11.9675 6.27569 7.93894 numMergedOcc 0
21 mol 249 unq 0 iso 0 dist 6.04688 5.63037 7.80866 5.70674 4.88298 9.04147 numMergedOcc 0
22 mol 268 unq 0 iso 0 dist 8.84415 12.9794 8.69312 21.4555 14.7037 9.06348 numMergedOcc 0
