0 mol 13 unq 0 iso 0 dist 9.78608 6.39939 7.64861 5.04036 8.70822 7.98679 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 5.98456 4.29919 8.35396 9.46609 9.12812 9.5053 numMergedOcc 0
2 mol 31 unq 0 iso 0 dist 9.45832 7.30482 6.19751 13.1857 5.87752 7.24439 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 8.26289 6.01868 5.2315 14.1431 10.7333 9.32898 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.57191 15.0409 9.69315 19.4646 12.9678 8.39326 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 9.57191 15.0409 9.69315 19.3259 11.2643 6.33741 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 8.57112 12.9454 9.18792 14.226 7.82866 9.5669 numMergedOcc 0
7 mol 108 unq 0 iso 0 dist 9.87572 13.9156 7.3542 13.12 6.05347 6.12967 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.8458 5.21101 5.32751 11.1653 11.064 9.35942 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 6.8458 5.21101 5.32751 11.2044 10.1476 7.42482 numMergedOcc 0
10 mol 119 unq 0 iso 0 dist 6.29634 4.01593 7.84768 9.15988 8.58511 8.8562 numMergedOcc 0
11 mol 151 unq 0 iso 0 dist 8.13302 11.8762 7.80544 11.9548 5.04333 4.74531 numMergedOcc 0
12 mol 151 unq 1 iso 0 dist 5.11555 12.3644 7.80544 9.71763 5.04333 4.74531 numMergedOcc 0
13 mol 151 unq 2 iso 0 dist 8.29457 9.40926 7.80544 7.06678 5.04333 4.74531 numMergedOcc 0
14 mol 151 unq 3 iso 0 dist 9.42062 11.8762 5.59982 11.9548 4.87853 4.74531 numMergedOcc 0
15 mol 151 unq 4 iso 0 dist 8.8107 12.3644 5.59982 9.71763 4.87853 4.74531 numMergedOcc 0
16 mol 163 unq 0 iso 0 dist 6.54995 12.5525 9.54144 6.0247 5.57459 9.79069 numMergedOcc 0
17 mol 163 unq 1 iso 0 dist 6.54995 4.37572 7.49813 6.0247 5.57459 9.27496 numMergedOcc 0
18 mol 163 unq 2 iso 0 dist 5.27374 8.81556 9.54144 6.40873 5.57459 9.79069 numMergedOcc 0
19 mol 163 unq 3 iso 0 dist 5.27374 7.05786 7.49813 6.40873 5.57459 9.27496 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 9.2747 4.47323 6.73995 11.5813 5.76368 7.32555 numMergedOcc 0
21 mol 171 unq 1 iso 0 dist 8.45343 4.47323 8.619 11.5813 10.8584 7.32555 numMergedOcc 0
22 mol 237 unq 0 iso 0 dist 7.11512 3.96327 7.3216 12.7761 9.59218 9.54499 numMergedOcc 0
23 mol 237 unq 1 iso 0 dist 7.11512 3.96327 7.3216 8.06435 4.83024 5.6703 numMergedOcc 0
24 mol 247 unq 0 iso 0 dist 5.89063 4.11384 7.21548 13.4604 16.3349 9.84493 numMergedOcc 0
