0 mol 64 unq 0 iso 0 dist 5.66803 9.23947 8.95689 10.0913 7.77991 14.987 numMergedOcc 0
1 mol 64 unq 1 iso 0 dist 5.66803 9.23947 8.95689 5.68492 5.1488 9.32552 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.90896 6.66506 5.00474 13.1044 6.96647 7.10439 numMergedOcc 0
3 mol 79 unq 0 iso 0 dist 8.64686 7.99438 14.0351 15.6024 9.74201 22.6019 numMergedOcc 0
4 mol 79 unq 1 iso 0 dist 8.64686 7.99438 14.0351 13.7118 8.17967 18.0616 numMergedOcc 0
5 mol 79 unq 2 iso 0 dist 8.64686 6.64915 13.4228 15.6024 9.74201 21.7851 numMergedOcc 0
6 mol 79 unq 3 iso 0 dist 8.64686 6.64915 13.4228 13.7118 8.17967 16.0562 numMergedOcc 0
7 mol 87 unq 0 iso 0 dist 7.57471 8.59105 4.99645 5.5768 9.53368 7.2268 numMergedOcc 0
8 mol 87 unq 1 iso 0 dist 7.57471 8.59105 4.99645 4.56692 6.54532 8.31175 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 6.61973 9.2638 6.2875 10.3223 9.49798 7.35992 numMergedOcc 0
10 mol 116 unq 1 iso 0 dist 6.61973 9.2638 6.2875 12.8624 8.31955 6.49383 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 9.52061 7.32407 7.72162 9.66773 9.50776 13.5279 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 9.52061 6.48695 7.95267 9.66773 9.50776 13.4968 numMergedOcc 0
13 mol 147 unq 0 iso 0 dist 5.32865 8.40219 5.30729 10.7118 9.80032 14.7057 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 8.6953 6.86997 4.74651 6.43817 9.21934 8.73468 numMergedOcc 0
15 mol 148 unq 1 iso 0 dist 8.6953 7.46919 9.03832 6.43817 9.21934 9.73927 numMergedOcc 0
16 mol 148 unq 2 iso 0 dist 8.6953 8.24581 10.0113 6.43817 9.21934 12.6536 numMergedOcc 0
17 mol 150 unq 0 iso 0 dist 8.65967 6.79381 4.75241 6.48058 9.13113 8.73558 numMergedOcc 0
18 mol 150 unq 1 iso 0 dist 8.65967 7.36989 9.0892 6.48058 9.13113 9.66129 numMergedOcc 0
19 mol 150 unq 2 iso 0 dist 8.65967 8.17805 10.21 6.48058 9.13113 12.6576 numMergedOcc 0
20 mol 162 unq 0 iso 0 dist 6.59407 6.80226 4.93161 8.08223 8.8048 10.3281 numMergedOcc 0
21 mol 188 unq 0 iso 0 dist 8.1907 6.47305 10.2716 9.12244 6.02957 14.0854 numMergedOcc 0
22 mol 188 unq 1 iso 0 dist 8.1907 6.20426 5.01686 9.12244 6.02957 9.33696 numMergedOcc 0
23 mol 195 unq 0 iso 0 dist 7.2833 9.25935 8.71774 6.76675 7.87044 14.0228 numMergedOcc 0
24 mol 204 unq 0 iso 0 dist 6.20044 9.23676 4.92804 5.64245 6.35305 7.10526 numMergedOcc 0
25 mol 204 unq 1 iso 0 dist 8.41232 9.23676 5.04697 5.64245 9.23348 7.10526 numMergedOcc 0
26 mol 230 unq 0 iso 0 dist 9.24729 8.85051 9.16476 10.2514 7.08409 11.432 numMergedOcc 0
27 mol 250 unq 0 iso 0 dist 7.89067 9.5746 10.6289 11.0863 9.45903 18.625 numMergedOcc 0
28 mol 250 unq 1 iso 0 dist 7.89067 9.5746 10.6289 9.98799 8.51531 17.5734 numMergedOcc 0
29 mol 282 unq 0 iso 0 dist 9.98886 7.84236 12.9261 10.1569 5.98155 14.5019 numMergedOcc 0
