0 mol 28 unq 0 iso 0 dist 9.6867 10.8781 5.38074 11.686 6.49254 5.65894 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.6867 10.8781 5.38074 14.7411 5.15435 6.83794 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 5.13138 10.8781 9.07545 11.686 9.65277 5.65894 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 5.13138 10.8781 9.07545 14.7411 10.6711 6.83794 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 9.60216 5.56363 6.77538 9.27002 10.9474 5.65894 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 9.60216 5.56363 6.77538 10.4944 6.10351 6.83794 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 7.61351 8.55448 6.77538 13.7455 10.9474 5.65894 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 7.61351 8.55448 6.77538 11.6549 6.10351 6.83794 numMergedOcc 0
8 mol 28 unq 8 iso 0 dist 9.6147 10.1348 6.77538 15.5124 10.9474 5.65894 numMergedOcc 0
9 mol 28 unq 9 iso 0 dist 9.6147 10.1348 6.77538 14.6647 6.10351 6.83794 numMergedOcc 0
10 mol 39 unq 0 iso 0 dist 8.62842 12.6438 8.19733 10.9988 8.65907 8.28439 numMergedOcc 0
11 mol 39 unq 1 iso 0 dist 8.27298 15.6407 8.19733 12.8271 8.65907 8.28439 numMergedOcc 0
12 mol 39 unq 2 iso 0 dist 8.56111 16.7059 8.19733 15.5656 8.65907 8.28439 numMergedOcc 0
13 mol 52 unq 0 iso 0 dist 8.76527 12.4805 8.65019 10.8088 8.45877 6.84652 numMergedOcc 0
14 mol 52 unq 1 iso 0 dist 8.76527 12.4805 8.65019 15.8939 11.107 7.46764 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 7.67321 11.1982 6.82089 17.1173 9.65804 9.03277 numMergedOcc 0
16 mol 147 unq 0 iso 0 dist 9.95533 15.5982 7.01133 19.3622 9.78167 5.96285 numMergedOcc 0
17 mol 147 unq 1 iso 0 dist 7.94147 12.2623 7.01133 15.4729 9.78167 5.96285 numMergedOcc 0
18 mol 193 unq 0 iso 0 dist 7.46207 6.6036 8.76185 5.19654 7.98055 7.20955 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 7.30003 5.24956 5.10114 5.69733 5.20422 6.35728 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 9.2457 12.7871 9.06084 8.8978 4.7189 8.79054 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 9.06496 9.69453 7.25677 14.4161 8.7465 6.73204 numMergedOcc 0
22 mol 278 unq 0 iso 0 dist 9.67619 10.7269 9.48589 15.4151 11.8647 7.76881 numMergedOcc 0
23 mol 282 unq 0 iso 0 dist 7.44868 8.60464 6.353 12.7565 6.85098 9.79549 numMergedOcc 0
24 mol 282 unq 1 iso 0 dist 7.44868 8.60464 6.353 12.9431 8.9468 9.69725 numMergedOcc 0
