0 mol 85 unq 0 iso 0 dist 7.61514 5.55433 7.51319 10.5372 5.22259 9.18097 numMergedOcc 0
1 mol 85 unq 1 iso 0 dist 7.61514 15.3673 9.43839 10.5372 5.22259 8.83135 numMergedOcc 0
2 mol 85 unq 2 iso 0 dist 8.21116 5.55433 8.49887 10.5372 7.66499 9.18097 numMergedOcc 0
3 mol 96 unq 0 iso 0 dist 7.40983 7.67811 8.79886 7.64681 7.86339 9.46568 numMergedOcc 0
4 mol 102 unq 0 iso 0 dist 9.05595 7.4117 9.51771 12.9728 7.06835 8.62829 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 8.18356 6.20949 7.4113 7.27601 3.67473 4.86767 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 6.84006 4.30031 7.06763 6.50614 4.26413 5.12002 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 6.84006 4.30031 7.06763 9.2903 3.64386 8.46914 numMergedOcc 0
8 mol 120 unq 2 iso 0 dist 9.08322 9.03773 7.06763 11.0249 4.26413 5.12002 numMergedOcc 0
9 mol 120 unq 3 iso 0 dist 9.08322 9.03773 7.06763 10.5903 3.64386 8.46914 numMergedOcc 0
10 mol 120 unq 4 iso 0 dist 8.02114 8.74749 7.06763 9.29305 4.26413 5.12002 numMergedOcc 0
11 mol 120 unq 5 iso 0 dist 8.02114 8.74749 7.06763 10.8269 3.64386 8.46914 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.3776 6.27142 9.07315 13.9908 11.2086 8.49831 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.02402 10.5408 8.0943 8.96031 4.4787 9.2802 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 9.02402 10.5408 8.0943 14.758 8.72129 7.2843 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 9.3032 11.9253 7.56217 11.7399 12.7379 8.09776 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 9.3032 11.9253 7.56217 7.27978 3.7326 5.4455 numMergedOcc 0
17 mol 194 unq 2 iso 0 dist 8.10451 9.14049 7.56217 13.1523 12.7379 8.09776 numMergedOcc 0
18 mol 194 unq 3 iso 0 dist 8.10451 9.14049 7.56217 9.33397 3.7326 5.4455 numMergedOcc 0
19 mol 194 unq 4 iso 0 dist 6.6747 9.14049 9.81055 13.1523 15.4151 8.09776 numMergedOcc 0
20 mol 194 unq 5 iso 0 dist 6.6747 9.14049 9.81055 9.33397 7.29209 5.4455 numMergedOcc 0
21 mol 194 unq 6 iso 0 dist 6.28412 15.4443 9.81055 21.5743 15.4151 8.09776 numMergedOcc 0
22 mol 194 unq 7 iso 0 dist 6.28412 15.4443 9.81055 12.7833 7.29209 5.4455 numMergedOcc 0
23 mol 252 unq 0 iso 0 dist 4.15692 10.2256 9.09279 13.6597 10.3958 7.60896 numMergedOcc 0
24 mol 253 unq 0 iso 0 dist 8.34984 6.3252 6.3093 12.2511 6.06804 8.64294 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 7.36685 13.3047 7.36137 11.7742 4.60397 6.77259 numMergedOcc 0
26 mol 266 unq 1 iso 0 dist 9.20906 9.22203 4.95415 13.7167 5.26919 6.77259 numMergedOcc 0
27 mol 266 unq 2 iso 0 dist 9.03099 13.3047 4.95415 11.7742 5.26919 6.77259 numMergedOcc 0
28 mol 272 unq 0 iso 0 dist 7.08918 11.9608 9.30035 9.88921 6.85669 8.86801 numMergedOcc 0
29 mol 272 unq 1 iso 0 dist 7.08918 8.8375 9.51185 9.88921 6.85669 7.15093 numMergedOcc 0
30 mol 284 unq 0 iso 0 dist 5.06373 10.1082 8.2236 9.95662 9.94624 4.87349 numMergedOcc 0
