0 mol 59 unq 0 iso 0 dist 8.17564 8.11934 10.9396 10.6918 6.23899 16.2554 numMergedOcc 0
1 mol 88 unq 0 iso 0 dist 5.82918 6.64933 5.62882 4.0486 9.2603 9.54952 numMergedOcc 0
2 mol 88 unq 1 iso 0 dist 5.82918 8.67727 4.74866 4.0486 9.2603 11.4733 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 9.30724 9.64544 3.96397 9.43289 8.39016 9.78235 numMergedOcc 0
4 mol 90 unq 1 iso 0 dist 9.30724 9.64544 3.96397 3.97343 6.99355 8.92069 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 7.90328 8.57112 4.07616 10.071 9.39469 12.9789 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 7.90328 8.57112 4.07616 5.89399 4.76815 6.84197 numMergedOcc 0
7 mol 113 unq 0 iso 0 dist 5.44714 7.3324 3.85992 5.19652 6.81812 5.82487 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 7.50886 6.8458 9.35355 9.09179 6.73814 13.7123 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 9.9492 8.58421 6.45748 9.79072 7.31468 9.3169 numMergedOcc 0
10 mol 143 unq 1 iso 0 dist 9.9492 8.58421 6.45748 5.80488 7.7056 5.5639 numMergedOcc 0
11 mol 167 unq 0 iso 0 dist 9.19849 6.00793 4.34476 8.66436 8.62646 5.72735 numMergedOcc 0
12 mol 183 unq 0 iso 0 dist 9.19941 8.76105 10.4295 7.68618 9.93083 11.9673 numMergedOcc 0
13 mol 183 unq 1 iso 0 dist 9.19941 8.76105 10.4295 6.50505 7.01383 13.1052 numMergedOcc 0
14 mol 219 unq 0 iso 0 dist 7.1158 8.15287 9.7667 5.0241 4.87541 7.68645 numMergedOcc 0
15 mol 232 unq 0 iso 0 dist 7.79085 6.69874 9.65665 12.6449 7.07392 14.5284 numMergedOcc 0
16 mol 232 unq 1 iso 0 dist 7.79085 6.69874 9.65665 12.0243 9.62952 14.6943 numMergedOcc 0
17 mol 232 unq 2 iso 0 dist 6.48753 5.40264 9.65665 10.0878 7.07392 14.5284 numMergedOcc 0
18 mol 232 unq 3 iso 0 dist 6.48753 5.40264 9.65665 9.58249 9.62952 14.6943 numMergedOcc 0
19 mol 232 unq 4 iso 0 dist 7.83802 7.91491 9.65665 8.32185 7.07392 14.5284 numMergedOcc 0
20 mol 232 unq 5 iso 0 dist 7.83802 7.91491 9.65665 8.24395 9.62952 14.6943 numMergedOcc 0
21 mol 247 unq 0 iso 0 dist 9.76925 6.41745 15.4892 14.6138 6.6838 19.6334 numMergedOcc 0
22 mol 282 unq 0 iso 0 dist 9.20119 6.96758 10.9494 12.5533 6.85028 16.6127 numMergedOcc 0
23 mol 282 unq 1 iso 0 dist 9.20119 6.96758 10.9494 14.3567 7.32347 17.8362 numMergedOcc 0
24 mol 282 unq 2 iso 0 dist 9.20119 6.96758 10.9494 6.32603 8.3411 12.6131 numMergedOcc 0
