0 mol 13 unq 0 iso 0 dist 7.71544 9.44958 10.8881 4.43066 6.54276 8.85788 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.6112 9.70778 16.5552 9.63803 5.23054 15.0821 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 9.59131 8.19484 4.15148 8.0072 9.00425 7.20383 numMergedOcc 0
3 mol 78 unq 0 iso 0 dist 9.53794 6.54185 13.7738 7.32064 16.4946 7.68515 numMergedOcc 0
4 mol 78 unq 1 iso 0 dist 9.53794 6.54185 13.7738 5.24136 14.0662 4.57743 numMergedOcc 0
5 mol 78 unq 2 iso 0 dist 9.53794 6.54185 13.7738 6.44687 10.1424 4.60481 numMergedOcc 0
6 mol 78 unq 3 iso 0 dist 9.53794 6.54185 13.7738 5.85007 13.583 9.75971 numMergedOcc 0
7 mol 78 unq 4 iso 0 dist 9.53794 9.68502 11.723 7.32064 16.4946 13.8124 numMergedOcc 0
8 mol 78 unq 5 iso 0 dist 9.53794 9.68502 11.723 5.24136 14.0662 10.3996 numMergedOcc 0
9 mol 78 unq 6 iso 0 dist 9.53794 9.68502 11.723 6.44687 10.1424 3.90674 numMergedOcc 0
10 mol 78 unq 7 iso 0 dist 9.53794 9.68502 11.723 5.85007 13.583 13.8571 numMergedOcc 0
11 mol 78 unq 8 iso 0 dist 9.84346 6.54185 16.0647 7.32064 13.8703 7.68515 numMergedOcc 0
12 mol 78 unq 9 iso 0 dist 9.84346 6.54185 16.0647 5.24136 13.4395 4.57743 numMergedOcc 0
13 mol 78 unq 10 iso 0 dist 9.84346 6.54185 16.0647 6.44687 14.488 4.60481 numMergedOcc 0
14 mol 78 unq 11 iso 0 dist 9.84346 6.54185 16.0647 5.85007 11.9719 9.75971 numMergedOcc 0
15 mol 78 unq 12 iso 0 dist 9.84346 9.68502 17.7914 7.32064 13.8703 13.8124 numMergedOcc 0
16 mol 78 unq 13 iso 0 dist 9.84346 9.68502 17.7914 5.24136 13.4395 10.3996 numMergedOcc 0
17 mol 78 unq 14 iso 0 dist 9.84346 9.68502 17.7914 6.44687 14.488 3.90674 numMergedOcc 0
18 mol 78 unq 15 iso 0 dist 9.84346 9.68502 17.7914 5.85007 11.9719 13.8571 numMergedOcc 0
19 mol 79 unq 0 iso 0 dist 7.74131 5.69384 6.32618 8.59739 3.80156 4.4921 numMergedOcc 0
20 mol 103 unq 0 iso 0 dist 9.57953 9.7171 5.74649 4.49975 11.9103 10.9236 numMergedOcc 0
21 mol 113 unq 0 iso 0 dist 9.64281 6.20553 5.12275 6.12348 7.09333 7.48733 numMergedOcc 0
22 mol 169 unq 0 iso 0 dist 9.83308 6.29631 5.42467 6.27683 7.0638 7.59743 numMergedOcc 0
23 mol 169 unq 1 iso 0 dist 8.97159 6.29631 7.26938 6.27683 13.7432 7.59743 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 8.59783 7.68295 5.31547 6.51523 9.12839 6.1593 numMergedOcc 0
25 mol 196 unq 0 iso 0 dist 8.86439 7.63142 10.382 8.76076 12.519 15.0399 numMergedOcc 0
26 mol 196 unq 1 iso 0 dist 8.86439 7.63142 10.382 4.36496 6.6569 10.6643 numMergedOcc 0
27 mol 196 unq 2 iso 0 dist 8.86439 7.63142 10.382 7.34995 5.29359 9.19343 numMergedOcc 0
28 mol 232 unq 0 iso 0 dist 5.29561 9.49955 8.67887 9.85909 6.05991 14.4073 numMergedOcc 0
29 mol 232 unq 1 iso 0 dist 5.29561 7.03236 7.67378 9.85909 6.05991 12.7174 numMergedOcc 0
30 mol 232 unq 2 iso 0 dist 9.16638 9.49955 5.06557 9.85909 15.9224 14.4073 numMergedOcc 0
31 mol 232 unq 3 iso 0 dist 9.16638 7.03236 5.42475 9.85909 15.9224 12.7174 numMergedOcc 0
32 mol 237 unq 0 iso 0 dist 9.18638 9.80232 12.7987 9.58403 5.80771 8.22549 numMergedOcc 0
33 mol 237 unq 1 iso 0 dist 9.18638 6.18606 5.78318 9.58403 5.80771 4.12168 numMergedOcc 0
34 mol 285 unq 0 iso 0 dist 8.12306 6.89391 13.3596 8.69325 7.22841 10.0457 numMergedOcc 0
35 mol 285 unq 1 iso 0 dist 8.12306 6.89391 13.3596 5.09181 6.01574 8.05127 numMergedOcc 0
