0 mol 43 unq 0 iso 0 dist 9.79678 8.25984 4.64937 5.22412 6.65308 6.95457 6.92677 11.6604 9.81698 6.12084 numMergedOcc 0
1 mol 119 unq 0 iso 0 dist 8.64438 8.24549 10.9345 10.1693 7.43445 9.58147 4.99061 9.85387 6.49205 7.36889 numMergedOcc 0
2 mol 132 unq 0 iso 0 dist 7.73306 8.15549 5.6296 4.6147 9.77766 7.17412 10.469 12.118 7.70349 7.79402 numMergedOcc 0
3 mol 132 unq 1 iso 0 dist 7.73306 8.15549 5.6296 6.20797 9.11314 5.69956 10.469 12.118 7.70349 4.29956 numMergedOcc 0
4 mol 152 unq 0 iso 0 dist 6.26222 6.4737 7.54583 6.07604 5.35463 8.61946 7.20811 9.35916 9.74498 4.36394 numMergedOcc 0
5 mol 175 unq 0 iso 0 dist 9.30469 6.21546 10.7476 7.64428 9.11753 13.3417 5.73338 9.09725 8.69888 9.04495 numMergedOcc 0
6 mol 175 unq 1 iso 0 dist 9.30469 6.03184 4.81365 7.64428 9.11753 9.25721 5.52686 10.6016 9.57611 3.98983 numMergedOcc 0
7 mol 175 unq 2 iso 0 dist 9.30469 6.03184 4.81365 7.64428 9.11753 9.25721 5.73338 9.09725 5.08206 9.04495 numMergedOcc 0
8 mol 182 unq 0 iso 0 dist 8.22267 8.94671 4.39505 5.38392 9.96156 9.72584 4.85077 9.36307 7.86625 3.8657 numMergedOcc 0
9 mol 206 unq 0 iso 0 dist 8.21649 7.65323 4.85877 4.91317 5.99766 8.48679 6.68626 10.8385 9.99185 8.79113 numMergedOcc 0
10 mol 206 unq 1 iso 0 dist 8.21649 7.65323 4.85877 4.91317 5.99766 8.48679 7.20088 7.0119 8.31638 6.13816 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 7.52542 6.24111 6.24537 10.6912 8.86708 8.78286 13.3929 11.965 9.67457 17.8124 numMergedOcc 0
12 mol 210 unq 1 iso 0 dist 9.58979 9.00343 6.24537 15.1716 8.86708 8.78286 12.3088 11.965 9.67457 17.8124 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 6.45234 9.17355 11.8854 11.4552 8.01243 19.3855 8.70715 7.30244 8.48112 14.1217 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 6.45234 9.17355 11.8854 8.34455 9.55264 5.05353 8.70715 7.30244 8.48112 3.91796 numMergedOcc 0
15 mol 283 unq 0 iso 0 dist 8.76844 7.53773 8.99445 5.25699 6.69313 5.7378 4.69801 12.4274 9.53225 6.79513 numMergedOcc 0
