0 mol 41 unq 0 iso 0 dist 5.36895 10.7783 8.66014 5.07641 7.99312 10.646 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 5.36895 10.7783 8.66014 8.54745 8.2183 7.13416 numMergedOcc 0
2 mol 51 unq 0 iso 0 dist 6.67213 5.49911 9.37125 6.57102 9.0709 5.49645 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 9.43143 6.9491 7.60252 10.5786 8.8178 7.54416 numMergedOcc 0
4 mol 72 unq 1 iso 0 dist 9.43143 6.9491 7.60252 16.2349 9.96708 9.89539 numMergedOcc 0
5 mol 94 unq 0 iso 0 dist 6.31237 5.0128 8.96022 6.26149 7.89459 7.1623 numMergedOcc 0
6 mol 94 unq 1 iso 0 dist 6.31237 11.42 8.75181 6.26149 7.89459 8.92413 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 8.07365 15.5913 9.02255 14.1188 7.27724 5.2048 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 8.07365 11.9794 7.89797 14.1188 7.27724 4.98369 numMergedOcc 0
9 mol 95 unq 2 iso 0 dist 6.86713 5.36123 6.12086 10.3731 9.03572 13.7041 numMergedOcc 0
10 mol 95 unq 3 iso 0 dist 6.86713 5.36123 6.12086 7.4052 8.83255 11.3093 numMergedOcc 0
11 mol 95 unq 4 iso 0 dist 6.86713 5.36123 6.12086 9.70895 8.03644 4.98369 numMergedOcc 0
12 mol 95 unq 5 iso 0 dist 6.86713 5.97198 7.93544 10.3731 9.03572 11.3277 numMergedOcc 0
13 mol 95 unq 6 iso 0 dist 6.86713 5.97198 7.93544 7.4052 8.83255 5.822 numMergedOcc 0
14 mol 95 unq 7 iso 0 dist 6.86713 5.97198 7.93544 9.70895 8.03644 9.11942 numMergedOcc 0
15 mol 109 unq 0 iso 0 dist 9.23803 5.95276 6.929 6.32175 8.58044 6.28185 numMergedOcc 0
16 mol 109 unq 1 iso 0 dist 9.26438 12.0163 5.8729 5.68669 8.69985 9.80725 numMergedOcc 0
17 mol 109 unq 2 iso 0 dist 6.43255 3.6217 5.8729 6.80429 8.69985 9.80725 numMergedOcc 0
18 mol 109 unq 3 iso 0 dist 7.4389 6.64703 5.8729 12.3794 8.69985 9.80725 numMergedOcc 0
19 mol 112 unq 0 iso 0 dist 7.85583 5.44644 5.43031 4.38646 7.71338 5.21064 numMergedOcc 0
20 mol 112 unq 1 iso 0 dist 8.86938 8.92091 5.43031 4.9102 7.71338 5.21064 numMergedOcc 0
21 mol 122 unq 0 iso 0 dist 8.47907 4.23094 5.94669 9.75696 8.37808 5.89212 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 8.66715 3.84472 6.70271 14.0905 7.11802 10.8963 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 9.00172 3.84472 6.2109 13.2145 6.29155 11.6923 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 9.00172 3.84472 6.2109 15.719 6.80239 12.4997 numMergedOcc 0
25 mol 133 unq 3 iso 0 dist 9.00172 3.84472 6.2109 14.0905 8.00618 10.8963 numMergedOcc 0
26 mol 133 unq 4 iso 0 dist 8.95433 14.5262 6.70271 11.0811 7.11802 10.8963 numMergedOcc 0
27 mol 142 unq 0 iso 0 dist 8.86346 13.8363 6.90378 16.7609 9.2313 8.11604 numMergedOcc 0
28 mol 142 unq 1 iso 0 dist 8.86346 13.8363 6.90378 13.5268 7.73169 5.39629 numMergedOcc 0
29 mol 142 unq 2 iso 0 dist 8.86346 13.8363 6.90378 12.1759 8.96657 5.4779 numMergedOcc 0
30 mol 142 unq 3 iso 0 dist 4.93681 10.563 6.90378 12.8283 9.2313 8.11604 numMergedOcc 0
31 mol 142 unq 4 iso 0 dist 4.93681 10.563 6.90378 10.1677 7.73169 5.39629 numMergedOcc 0
32 mol 142 unq 5 iso 0 dist 4.93681 10.563 6.90378 10.0866 8.96657 5.4779 numMergedOcc 0
33 mol 224 unq 0 iso 0 dist 8.14754 4.44482 6.7946 7.43271 5.81334 6.32915 numMergedOcc 0
34 mol 231 unq 0 iso 0 dist 6.02527 8.02725 6.52115 6.68357 7.37839 12.4148 numMergedOcc 0
35 mol 231 unq 1 iso 0 dist 6.02527 8.02725 6.52115 7.6832 8.40182 14.0894 numMergedOcc 0
36 mol 231 unq 2 iso 0 dist 6.02527 6.48256 9.88437 6.68357 7.37839 5.20569 numMergedOcc 0
37 mol 231 unq 3 iso 0 dist 6.02527 6.48256 9.88437 7.6832 8.40182 8.35245 numMergedOcc 0
38 mol 264 unq 0 iso 0 dist 7.37999 6.67953 5.99069 4.72487 9.361 5.68295 numMergedOcc 0
39 mol 264 unq 1 iso 0 dist 7.37999 6.67953 5.99069 11.0659 6.24356 6.99623 numMergedOcc 0
40 mol 264 unq 2 iso 0 dist 7.36703 5.84967 5.99069 5.28781 9.361 5.68295 numMergedOcc 0
41 mol 264 unq 3 iso 0 dist 7.36703 5.84967 5.99069 5.91731 6.24356 6.99623 numMergedOcc 0
42 mol 265 unq 0 iso 0 dist 8.49415 10.0348 7.27446 4.05162 8.4218 8.07916 numMergedOcc 0
43 mol 277 unq 0 iso 0 dist 7.23956 13.9612 8.61945 15.6875 9.7748 9.21781 numMergedOcc 0
44 mol 278 unq 0 iso 0 dist 9.91518 5.73846 8.8437 12.8387 8.44326 8.4608 numMergedOcc 0
