0 mol 26 unq 0 iso 0 dist 7.34549 9.08976 11.887 17.0306 17.0926 9.25649 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.34549 9.08976 11.887 11.9941 13.664 9.36104 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 9.02927 7.41523 5.0364 8.02771 9.57606 5.52067 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 9.89618 6.11881 13.469 11.3391 18.6832 7.4219 numMergedOcc 0
4 mol 90 unq 1 iso 0 dist 9.89618 6.11881 13.469 9.78924 15.0774 7.30343 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 9.10877 5.77804 5.33106 3.74136 9.4523 7.85041 numMergedOcc 0
6 mol 111 unq 0 iso 0 dist 7.42431 9.02541 7.59143 9.30538 7.71107 9.41723 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 8.75736 6.77398 5.45435 9.27429 12.6237 8.27673 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 6.76166 6.33375 5.9915 4.33924 10.4384 8.77898 numMergedOcc 0
9 mol 134 unq 2 iso 0 dist 6.76166 8.06229 5.45435 11.5637 12.6237 8.27673 numMergedOcc 0
10 mol 134 unq 3 iso 0 dist 6.32178 6.77398 8.47569 9.27429 14.6646 8.27673 numMergedOcc 0
11 mol 134 unq 4 iso 0 dist 7.2977 6.33375 10.7186 4.33924 11.1711 8.77898 numMergedOcc 0
12 mol 134 unq 5 iso 0 dist 7.2977 8.06229 8.47569 11.5637 14.6646 8.27673 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 9.23551 7.9061 8.59354 5.78019 6.28351 5.1101 numMergedOcc 0
14 mol 147 unq 1 iso 0 dist 9.23551 4.48898 8.54341 5.78019 6.28351 7.01133 numMergedOcc 0
15 mol 147 unq 2 iso 0 dist 7.4653 7.6489 5.08802 5.88056 5.49226 5.1101 numMergedOcc 0
16 mol 147 unq 3 iso 0 dist 7.95564 7.6489 8.54445 5.88056 10.8047 5.1101 numMergedOcc 0
17 mol 158 unq 0 iso 0 dist 9.03632 7.63085 6.63727 4.19444 7.88319 6.39981 numMergedOcc 0
18 mol 178 unq 0 iso 0 dist 7.14849 8.71031 5.25267 6.72936 4.92088 5.98771 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 9.50454 8.22583 9.60512 5.80934 11.6558 5.49808 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 7.15963 8.22583 14.8479 5.80934 12.8948 5.49808 numMergedOcc 0
21 mol 205 unq 0 iso 0 dist 6.04106 9.70674 6.23291 14.4882 10.0424 9.83885 numMergedOcc 0
22 mol 205 unq 1 iso 0 dist 6.04106 9.70674 6.23291 10.0849 5.60393 5.42696 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 8.39522 6.59305 6.20606 8.22473 13.7544 8.6597 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 5.99187 6.59305 10.4664 8.22473 5.64181 8.6597 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 9.93378 6.59305 13.3539 8.22473 7.61393 8.6597 numMergedOcc 0
