0 mol 24 unq 0 iso 0 dist 8.48944 11.8259 9.586 9.79529 14.4081 9.44691 11.9017 13.2071 9.04355 8.20058 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.04448 6.2838 6.61696 9.79529 14.8647 8.60554 11.9017 19.4811 13.4836 8.20058 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.6834 6.2838 5.80953 9.79529 5.11636 8.60554 11.9017 11.6434 13.4836 8.20058 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 4.29713 7.50942 6.21128 14.0477 13.4019 8.51663 14.8331 14.2 8.06801 8.52313 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.73435 11.9655 6.91169 9.43143 4.03844 9.27838 8.83086 9.26417 15.1138 6.68311 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.91797 5.081 8.46823 9.32725 10.4782 6.65501 15.3157 15.2414 11.0132 8.05602 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 6.37954 5.081 4.62494 9.32725 3.9764 6.65501 15.3157 9.55337 11.0132 8.05602 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 6.62354 5.26309 7.56755 9.26438 5.00433 7.80523 15.3293 13.0202 10.8869 8.84523 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 8.00085 11.4333 7.56755 6.43255 5.00433 7.80523 13.8299 13.0202 10.8869 8.84523 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 5.05627 4.96213 6.65731 12.3743 13.4066 9.97343 9.54992 13.7901 9.00056 9.47675 numMergedOcc 0
10 mol 195 unq 0 iso 0 dist 6.27266 6.31156 6.22742 12.0897 6.04871 9.26504 16.9651 12.5713 11.3703 8.3705 numMergedOcc 0
11 mol 222 unq 0 iso 0 dist 8.63804 8.51744 8.43195 11.4413 6.84862 7.67576 10.0079 8.51427 10.3328 5.47561 numMergedOcc 0
12 mol 222 unq 1 iso 0 dist 8.61619 8.51744 8.23406 11.4413 9.53117 7.67576 10.0079 11.6182 10.3328 5.47561 numMergedOcc 0
13 mol 229 unq 0 iso 0 dist 9.90415 6.7597 9.37336 6.32302 5.70473 8.66332 5.75801 10.3383 10.4939 8.8557 numMergedOcc 0
14 mol 229 unq 1 iso 0 dist 5.96615 5.3298 9.37336 8.53615 5.70473 8.66332 11.8915 10.3383 10.4939 8.8557 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 8.1692 5.70548 6.59036 7.57253 5.42461 9.05071 4.97762 7.53576 4.95971 9.95045 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 9.61255 4.69368 7.77765 11.3698 5.22914 7.46394 7.47139 5.64169 4.48276 5.82876 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 9.61255 4.69368 7.77765 11.5347 10.2884 7.1729 7.47139 5.64169 4.48276 8.71129 numMergedOcc 0
18 mol 274 unq 2 iso 0 dist 7.64703 4.69368 9.65868 11.3698 14.7507 7.46394 7.47139 13.5288 4.48276 5.82876 numMergedOcc 0
19 mol 274 unq 3 iso 0 dist 7.64703 4.69368 9.65868 11.5347 13.0867 7.1729 7.47139 13.5288 4.48276 8.71129 numMergedOcc 0
