0 mol 26 unq 0 iso 0 dist 8.42581 6.15893 8.95026 11.553 6.74848 10.157 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.42581 5.497 5.45023 11.553 6.74848 6.56527 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 7.95778 7.21995 6.19841 6.39184 8.80014 11.6429 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 7.95778 9.62637 10.493 6.39184 8.80014 13.5633 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 7.54496 9.56752 6.44963 4.48233 7.31784 11.5224 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.30176 6.95465 9.01596 5.54732 8.29345 9.91054 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.06525 8.809 8.51024 9.47219 9.35942 14.1286 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 8.11094 9.83981 11.4429 6.76585 9.17466 14.1286 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.07135 7.41399 5.71483 6.61001 6.18808 6.84835 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 8.07135 8.21165 9.78763 6.61001 6.18808 9.98436 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 8.07135 8.97945 6.9287 6.61001 6.18808 11.7024 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 8.07135 9.50664 11.7983 6.61001 6.18808 13.3291 numMergedOcc 0
12 mol 133 unq 4 iso 0 dist 8.07135 6.71555 5.83691 6.61001 6.18808 8.42748 numMergedOcc 0
13 mol 158 unq 0 iso 0 dist 6.39981 9.6096 10.3886 5.42969 6.76055 13.8478 numMergedOcc 0
14 mol 158 unq 1 iso 0 dist 6.39981 9.6096 10.3886 4.77562 9.36343 9.59969 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 9.52987 6.32777 11.1881 14.6648 7.11785 15.3124 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 5.49808 5.97685 6.12563 4.46559 9.26796 10.0737 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 7.96291 8.9289 6.12563 9.08227 9.26796 10.0737 numMergedOcc 0
18 mol 193 unq 0 iso 0 dist 7.94747 7.60625 6.03632 4.17434 8.67745 9.40801 numMergedOcc 0
19 mol 194 unq 0 iso 0 dist 9.77862 9.3402 7.50057 5.63279 5.68348 6.38324 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 7.29542 7.73748 6.59663 9.51752 9.23935 10.6612 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 7.29542 7.73748 6.59663 10.9596 7.77552 11.3252 numMergedOcc 0
22 mol 237 unq 0 iso 0 dist 7.33613 9.27395 5.90415 4.7134 6.07878 10.726 numMergedOcc 0
23 mol 237 unq 1 iso 0 dist 7.33613 9.27395 5.90415 6.42587 7.80422 11.6573 numMergedOcc 0
24 mol 237 unq 2 iso 0 dist 7.33613 9.27395 5.90415 9.55218 5.06628 8.10254 numMergedOcc 0
25 mol 237 unq 3 iso 0 dist 7.33613 7.55103 9.2471 4.7134 6.07878 10.8855 numMergedOcc 0
26 mol 237 unq 4 iso 0 dist 7.33613 7.55103 9.2471 6.42587 7.80422 12.8016 numMergedOcc 0
27 mol 237 unq 5 iso 0 dist 7.33613 7.55103 9.2471 9.55218 5.06628 12.2998 numMergedOcc 0
28 mol 272 unq 0 iso 0 dist 6.98048 9.24417 14.2062 5.42668 8.13034 10.1662 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 7.25677 6.43034 5.43373 6.56697 7.85414 8.20644 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 6.73126 6.43034 7.17477 9.00644 8.81717 13.9532 numMergedOcc 0
31 mol 278 unq 0 iso 0 dist 9.80746 7.48235 14.8957 11.3687 7.21972 18.3232 numMergedOcc 0
