0 mol 70 unq 0 iso 0 dist 7.95122 10.7301 8.33704 9.74268 5.22626 7.92394 6.95018 10.1773 6.65811 9.65964 numMergedOcc 0
1 mol 114 unq 0 iso 0 dist 5.87387 6.2394 8.71128 6.06543 5.59517 7.52743 5.51609 10.1937 4.77056 7.35754 numMergedOcc 0
2 mol 114 unq 1 iso 0 dist 6.06543 6.2394 7.52743 5.87387 5.59517 8.71128 6.4595 10.1027 5.80557 7.5732 numMergedOcc 0
3 mol 117 unq 0 iso 0 dist 9.41387 6.69306 6.62561 13.8525 7.22206 7.63616 9.3855 7.90328 4.91401 7.83136 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 8.32004 4.91188 6.19042 13.1001 9.22558 8.43904 14.5985 13.9919 10.3457 6.18601 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 8.32004 7.01214 7.44174 15.0885 12.4603 9.63176 11.7253 12.6489 10.6679 8.73993 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 9.69757 12.4356 8.6243 12.5659 6.63273 6.91348 6.82985 7.12972 6.19596 6.85062 numMergedOcc 0
7 mol 132 unq 0 iso 0 dist 8.48641 9.29705 7.61505 9.0339 4.35917 6.03703 15.9368 11.5751 9.92344 7.7059 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 6.99089 15.1358 8.6355 15.1189 8.80819 8.79571 12.6542 6.49416 5.41704 8.94367 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 6.99089 15.1358 8.6355 15.1189 8.80819 8.79571 19.2233 12.5075 6.17103 9.86662 numMergedOcc 0
10 mol 134 unq 2 iso 0 dist 6.99089 15.1358 8.6355 11.6481 5.00817 5.42582 12.6542 6.49416 5.41704 6.37586 numMergedOcc 0
11 mol 134 unq 3 iso 0 dist 6.99089 15.1358 8.6355 11.6481 5.00817 5.42582 19.2233 12.5075 6.17103 9.71307 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 8.14907 7.79621 7.39644 14.8578 10.7616 7.36102 13.862 10.7829 8.27726 6.43582 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 7.39961 5.58352 8.47155 7.80643 5.76755 9.36805 6.52984 10.4649 6.29785 7.44554 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 7.39961 5.58352 8.47155 10.8849 7.60354 7.55203 6.52984 10.4649 6.29785 9.83699 numMergedOcc 0
15 mol 156 unq 2 iso 0 dist 7.80643 5.58352 9.36805 10.8849 8.38403 7.55203 6.52984 7.44554 6.29785 9.83699 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 7.62771 12.4266 9.68513 7.80166 10.1648 9.29858 6.77788 12.8711 13.069 5.72887 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 6.93507 5.63238 8.96876 6.42827 8.34718 8.83735 8.22485 11.7594 5.23473 7.57994 numMergedOcc 0
18 mol 249 unq 1 iso 0 dist 6.93507 5.63238 8.96876 6.42827 8.34718 8.83735 6.77698 12.2913 7.38675 6.18582 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 7.22438 6.68919 6.73206 7.66615 5.40809 9.09992 11.4664 13.2494 10.841 9.97651 numMergedOcc 0
20 mol 272 unq 1 iso 0 dist 7.22438 6.68919 6.73206 7.66615 5.40809 9.09992 10.3544 8.33638 5.63139 8.46116 numMergedOcc 0
21 mol 272 unq 2 iso 0 dist 7.66615 6.68919 9.09992 7.22438 5.40809 6.73206 10.3544 8.46116 5.63139 8.33638 numMergedOcc 0
22 mol 282 unq 0 iso 0 dist 7.90792 6.63358 7.32347 10.9708 5.39891 6.85028 8.93697 6.33524 6.3384 8.04483 numMergedOcc 0
