0 mol 34 unq 0 iso 0 dist 6.17472 5.22602 9.52614 5.26203 9.45239 5.74823 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 8.16059 5.37947 9.7218 4.22256 8.16183 9.51267 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 9.35329 9.14875 7.37357 5.35632 9.21833 4.86908 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 7.71596 6.04567 9.45905 4.43742 8.5069 10.1894 numMergedOcc 0
4 mol 90 unq 0 iso 0 dist 8.6308 12.5661 9.46251 8.53951 8.48639 11.7023 numMergedOcc 0
5 mol 108 unq 0 iso 0 dist 9.24001 13.8402 7.84262 8.96376 5.60118 4.91593 numMergedOcc 0
6 mol 108 unq 1 iso 0 dist 9.24001 12.7621 9.29208 8.96376 5.60118 6.23415 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 9.17909 11.6501 9.45513 7.13056 6.88696 4.74565 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 9.37708 6.25175 9.45513 8.58795 6.88696 4.74565 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 9.29439 5.94065 9.22776 5.02595 6.39945 6.14609 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 8.26291 10.0626 6.00391 12.9175 8.15289 5.29138 numMergedOcc 0
11 mol 130 unq 1 iso 0 dist 8.26291 8.28869 9.70695 12.9175 8.15289 13.2681 numMergedOcc 0
12 mol 130 unq 2 iso 0 dist 7.86001 9.84637 6.00391 6.65871 8.15289 5.29138 numMergedOcc 0
13 mol 130 unq 3 iso 0 dist 7.86001 10.3345 9.70695 6.65871 8.15289 13.2681 numMergedOcc 0
14 mol 130 unq 4 iso 0 dist 9.74763 5.66414 9.63012 10.4659 6.98077 11.6668 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 7.82796 11.9392 5.71438 4.16734 9.26238 12.035 numMergedOcc 0
16 mol 183 unq 0 iso 0 dist 9.81282 17.0614 8.74697 16.3902 8.41645 4.59503 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 8.09373 4.98693 8.43722 12.1879 9.82338 8.06464 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 8.09373 4.98693 8.43722 9.09562 7.99933 5.21837 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 8.40343 4.83829 8.43722 9.00121 7.7734 5.32701 numMergedOcc 0
20 mol 207 unq 0 iso 0 dist 4.55528 4.797 9.09845 6.68112 6.06003 10.9574 numMergedOcc 0
21 mol 207 unq 1 iso 0 dist 4.55528 6.10151 9.50021 6.68112 6.06003 9.63901 numMergedOcc 0
22 mol 218 unq 0 iso 0 dist 5.98076 6.76584 8.73468 6.13691 8.38813 4.76899 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 4.3362 9.61081 9.58724 4.14896 7.27248 8.30031 numMergedOcc 0
24 mol 220 unq 1 iso 0 dist 9.56271 6.39826 5.34387 9.12466 8.15255 4.548 numMergedOcc 0
25 mol 228 unq 0 iso 0 dist 9.85855 4.9884 9.81403 9.26026 9.94849 9.94921 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 8.66917 5.4751 9.77593 6.23517 8.16952 5.10922 numMergedOcc 0
