0 mol 11 unq 0 iso 0 dist 5.8689 5.56531 4.13124 4.80143 6.79478 8.01262 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.87317 6.35997 7.58092 11.9718 6.87871 12.0852 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 6.22956 8.39335 10.0772 7.73661 6.7763 12.4015 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 8.21723 6.29267 8.33013 4.98967 8.0614 5.25027 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 8.21723 9.64361 4.96316 4.98967 8.0614 11.0995 numMergedOcc 0
5 mol 110 unq 0 iso 0 dist 7.67702 7.59747 7.32685 9.86374 7.21229 12.7232 numMergedOcc 0
6 mol 110 unq 1 iso 0 dist 7.67702 7.59747 7.32685 5.33778 5.25492 9.10911 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 5.05141 8.51084 10.3018 4.41283 8.42147 9.06601 numMergedOcc 0
8 mol 111 unq 1 iso 0 dist 5.05141 5.53271 4.88926 4.41283 8.42147 5.98809 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 5.38954 5.94465 5.11935 5.17524 7.70533 10.1696 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 7.97262 5.86693 6.97119 4.93029 6.42756 7.46621 numMergedOcc 0
11 mol 165 unq 0 iso 0 dist 6.35749 9.43781 11.3114 7.60464 9.78437 16.9098 numMergedOcc 0
12 mol 165 unq 1 iso 0 dist 6.35749 7.84854 9.38939 7.60464 9.78437 11.1281 numMergedOcc 0
13 mol 196 unq 0 iso 0 dist 8.62618 8.32524 6.74969 8.07956 6.76923 9.91421 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 7.9678 6.2669 10.4274 9.7129 8.43584 13.5247 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 8.14413 8.20259 5.30972 5.06314 9.67457 11.1783 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 6.86905 9.31268 4.51854 5.88384 5.56719 9.76893 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 5.69868 5.91094 6.94281 5.04077 9.37996 10.4359 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 7.42888 4.98907 8.9947 5.29393 5.73296 8.03012 numMergedOcc 0
19 mol 294 unq 0 iso 0 dist 7.71392 8.81999 12.2834 9.07177 9.70907 17.6859 numMergedOcc 0
20 mol 294 unq 1 iso 0 dist 7.71392 4.83062 9.89492 9.07177 9.70907 9.25084 numMergedOcc 0
21 mol 294 unq 2 iso 0 dist 7.71392 5.18334 5.71856 9.07177 9.70907 7.56669 numMergedOcc 0
22 mol 294 unq 3 iso 0 dist 6.6112 8.65363 9.89492 5.08625 9.70907 9.25084 numMergedOcc 0
23 mol 294 unq 4 iso 0 dist 6.6112 6.44588 5.71856 5.08625 9.70907 7.56669 numMergedOcc 0
24 mol 294 unq 5 iso 0 dist 7.6859 8.81999 15.8342 9.07177 6.47832 17.6859 numMergedOcc 0
25 mol 294 unq 6 iso 0 dist 7.6859 4.83062 4.45227 9.07177 6.47832 9.25084 numMergedOcc 0
26 mol 294 unq 7 iso 0 dist 7.6859 5.18334 4.99494 9.07177 6.47832 7.56669 numMergedOcc 0
27 mol 294 unq 8 iso 0 dist 8.35722 8.65363 4.45227 5.08625 6.47832 9.25084 numMergedOcc 0
28 mol 294 unq 9 iso 0 dist 8.35722 6.44588 4.99494 5.08625 6.47832 7.56669 numMergedOcc 0
