0 mol 58 unq 0 iso 0 dist 8.52969 7.04193 11.6716 11.6772 6.81627 17.1486 6.10173 7.21955 12.0481 7.09066 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 8.52969 7.04193 11.6716 9.0406 7.32874 15.108 6.10173 7.21955 12.0481 7.12541 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 8.52969 7.04193 11.6716 4.98107 9.55426 11.9025 6.10173 7.21955 12.0481 5.74871 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 8.52969 7.15486 10.6169 11.6772 6.81627 15.2973 6.10173 7.21955 12.3035 7.09066 numMergedOcc 0
4 mol 58 unq 4 iso 0 dist 8.52969 7.15486 10.6169 9.0406 7.32874 11.396 6.10173 7.21955 12.3035 7.12541 numMergedOcc 0
5 mol 58 unq 5 iso 0 dist 8.52969 7.15486 10.6169 4.98107 9.55426 9.4099 6.10173 7.21955 12.3035 5.74871 numMergedOcc 0
6 mol 100 unq 0 iso 0 dist 9.26343 9.91446 13.8729 13.666 6.45675 18.696 10.728 7.38135 18.9856 7.11701 numMergedOcc 0
7 mol 100 unq 1 iso 0 dist 9.26343 9.91446 13.8729 16.4386 7.47343 19.3587 10.728 7.38135 18.9856 11.2312 numMergedOcc 0
8 mol 100 unq 2 iso 0 dist 9.26343 9.91446 13.8729 15.5646 8.86688 22.0839 10.728 7.38135 18.9856 7.79768 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 5.87387 6.06543 5.59517 6.4595 7.5732 10.1027 10.6075 6.84011 10.0237 7.436 numMergedOcc 0
10 mol 156 unq 0 iso 0 dist 7.80643 7.39961 5.76755 6.52984 7.44554 10.4649 11.7605 9.44367 13.5699 5.4555 numMergedOcc 0
11 mol 156 unq 1 iso 0 dist 7.80643 7.39961 5.76755 6.52984 7.44554 10.4649 5.95655 9.47433 6.30021 11.9952 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 6.96824 9.25528 11.9017 8.76337 7.63312 16.9324 4.75774 5.9176 11.602 5.63555 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 6.96824 9.25528 11.9017 8.76337 7.63312 16.9324 9.91956 6.41453 17.1805 7.20191 numMergedOcc 0
14 mol 181 unq 2 iso 0 dist 9.25528 6.96824 11.9017 18.2027 9.1374 20.225 15.4597 8.90963 14.7352 8.91338 numMergedOcc 0
15 mol 181 unq 3 iso 0 dist 9.25528 6.96824 11.9017 11.4901 5.98885 15.333 15.4597 8.90963 14.7352 9.81073 numMergedOcc 0
16 mol 181 unq 4 iso 0 dist 9.25528 6.96824 11.9017 11.9545 9.15386 14.4936 15.4597 8.90963 14.7352 9.34211 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 7.92766 6.32652 12.5143 14.0488 7.10633 19.1577 15.254 9.68728 20.9634 7.67571 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 7.92766 6.32652 12.5143 7.58285 8.51516 13.8351 15.254 9.68728 20.9634 10.8573 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 8.93637 7.96424 13.4403 14.8074 9.23153 14.106 12.5597 6.59716 14.6002 7.11498 numMergedOcc 0
20 mol 220 unq 1 iso 0 dist 8.93637 5.40366 6.55533 14.8074 9.23153 9.55941 12.5597 6.59716 8.90237 7.11498 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 7.13194 7.2527 10.0191 9.05069 5.72887 13.5431 10.0472 9.24557 7.57812 14.7883 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 7.80166 9.29203 10.0191 6.77788 5.72887 13.5431 13.6806 9.24557 7.57812 14.7883 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 7.80166 7.62771 10.1648 6.77788 5.72887 12.8711 13.6806 9.24557 10.1217 14.7883 numMergedOcc 0
24 mol 249 unq 0 iso 0 dist 6.42827 6.93507 8.34718 8.22485 7.57994 11.7594 5.74889 5.48118 10.0024 10.7772 numMergedOcc 0
25 mol 249 unq 1 iso 0 dist 6.42827 6.93507 8.34718 6.77698 6.18582 12.2913 5.74889 5.48118 10.0024 7.04666 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 6.49599 9.34738 4.86771 14.1932 8.13497 9.95973 10.451 7.98231 11.6972 8.41846 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 6.49599 9.34738 4.86771 13.8605 7.88519 7.84554 10.451 7.98231 11.6972 8.81835 numMergedOcc 0
28 mol 259 unq 2 iso 0 dist 6.49599 9.47382 6.96053 14.1932 8.13497 10.3935 10.451 7.98231 7.08526 8.41846 numMergedOcc 0
29 mol 259 unq 3 iso 0 dist 6.49599 9.47382 6.96053 13.8605 7.88519 7.46176 10.451 7.98231 7.08526 8.81835 numMergedOcc 0
30 mol 259 unq 4 iso 0 dist 9.47382 6.49599 6.96053 13.8605 7.46176 7.88519 10.451 7.08526 7.98231 8.81835 numMergedOcc 0
31 mol 259 unq 5 iso 0 dist 9.47382 9.34738 7.64658 13.8605 7.46176 7.84554 10.451 7.08526 11.6972 8.81835 numMergedOcc 0
