0 mol 11 unq 0 iso 0 dist 9.76233 8.44193 4.79838 11.8533 6.83186 3.56133 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 8.00338 7.33601 5.34723 4.45723 9.2087 5.64409 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.32472 6.68767 9.56614 4.61111 4.75881 9.78639 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 5.61831 8.76407 8.90522 5.5308 7.66068 10.865 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 5.61831 8.76407 8.90522 10.5881 9.5043 10.2651 numMergedOcc 0
5 mol 76 unq 2 iso 0 dist 5.61831 8.76407 8.90522 9.74852 8.34132 5.92868 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 7.61514 12.3084 5.61151 10.8634 6.67137 10.803 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 7.61514 12.3084 5.61151 15.0522 9.78707 5.49707 numMergedOcc 0
8 mol 85 unq 2 iso 0 dist 8.21116 12.3084 6.54289 13.6965 7.07839 11.6623 numMergedOcc 0
9 mol 85 unq 3 iso 0 dist 8.21116 12.3084 6.54289 10.513 9.09711 15.6048 numMergedOcc 0
10 mol 85 unq 4 iso 0 dist 8.21116 12.3084 6.54289 10.8634 7.04244 10.803 numMergedOcc 0
11 mol 85 unq 5 iso 0 dist 8.21116 12.3084 6.54289 12.6759 7.91193 13.4097 numMergedOcc 0
12 mol 85 unq 6 iso 0 dist 8.21116 12.3084 6.54289 15.0522 9.63449 5.49707 numMergedOcc 0
13 mol 85 unq 7 iso 0 dist 8.21116 15.5542 7.52869 13.6965 7.07839 4.86391 numMergedOcc 0
14 mol 85 unq 8 iso 0 dist 8.21116 15.5542 7.52869 10.513 9.09711 11.6463 numMergedOcc 0
15 mol 85 unq 9 iso 0 dist 8.21116 15.5542 7.52869 10.8634 7.04244 9.46256 numMergedOcc 0
16 mol 85 unq 10 iso 0 dist 8.21116 15.5542 7.52869 15.0522 9.63449 11.3191 numMergedOcc 0
17 mol 85 unq 11 iso 0 dist 8.21116 15.5542 7.52869 12.6759 7.91193 8.06224 numMergedOcc 0
18 mol 85 unq 12 iso 0 dist 8.21116 16.0243 9.18945 13.6965 7.07839 9.18879 numMergedOcc 0
19 mol 85 unq 13 iso 0 dist 8.21116 16.0243 9.18945 10.513 9.09711 13.1591 numMergedOcc 0
20 mol 85 unq 14 iso 0 dist 8.21116 16.0243 9.18945 10.8634 7.04244 6.34431 numMergedOcc 0
21 mol 85 unq 15 iso 0 dist 8.21116 16.0243 9.18945 15.0522 9.63449 14.7195 numMergedOcc 0
22 mol 85 unq 16 iso 0 dist 8.21116 16.0243 9.18945 12.6759 7.91193 11.8663 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 5.24882 9.73727 8.08798 6.03327 4.3855 4.19541 numMergedOcc 0
24 mol 193 unq 0 iso 0 dist 9.28442 6.21288 6.17074 6.06113 8.30069 6.11405 numMergedOcc 0
25 mol 193 unq 1 iso 0 dist 9.28442 6.21288 6.17074 3.45561 8.83551 3.90046 numMergedOcc 0
26 mol 225 unq 0 iso 0 dist 6.15671 4.78147 8.9632 8.58432 9.54529 8.74865 numMergedOcc 0
27 mol 260 unq 0 iso 0 dist 5.33278 4.91827 5.30187 8.90225 6.48099 5.91135 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 7.34927 6.60083 9.62597 9.69757 7.98956 13.6468 numMergedOcc 0
29 mol 277 unq 1 iso 0 dist 7.34927 6.60083 9.62597 10.2113 5.86185 13.3297 numMergedOcc 0
30 mol 277 unq 2 iso 0 dist 7.34927 6.60083 9.62597 8.92993 6.79748 6.51854 numMergedOcc 0
31 mol 277 unq 3 iso 0 dist 7.54315 10.5543 9.62597 7.55695 7.98956 13.6468 numMergedOcc 0
32 mol 277 unq 4 iso 0 dist 7.54315 10.5543 9.62597 6.26644 5.86185 13.3297 numMergedOcc 0
33 mol 277 unq 5 iso 0 dist 7.54315 10.5543 9.62597 10.4453 6.79748 6.51854 numMergedOcc 0
34 mol 281 unq 0 iso 0 dist 8.78416 13.4831 9.94612 16.2332 7.90368 14.4804 numMergedOcc 0
35 mol 281 unq 1 iso 0 dist 8.78416 13.4831 9.94612 10.564 6.69267 6.83942 numMergedOcc 0
36 mol 281 unq 2 iso 0 dist 7.82358 6.93582 9.94612 12.9503 7.90368 14.4804 numMergedOcc 0
37 mol 281 unq 3 iso 0 dist 7.82358 6.93582 9.94612 9.45924 6.69267 6.83942 numMergedOcc 0
38 mol 292 unq 0 iso 0 dist 4.97488 7.66483 9.10627 4.34603 8.07775 11.2463 numMergedOcc 0
39 mol 292 unq 1 iso 0 dist 8.80146 5.28576 9.10627 7.1411 8.07775 11.2463 numMergedOcc 0
