0 mol 12 unq 0 iso 0 dist 8.15864 8.18296 10.1802 10.1259 6.6051 15.1974 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 8.15864 7.99569 11.8349 10.1259 6.6051 14.8024 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 5.36278 8.9204 7.29489 7.34641 7.50258 14.3504 numMergedOcc 0
3 mol 29 unq 1 iso 0 dist 7.50258 9.19374 5.07025 7.34641 5.36278 10.2489 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 5.66803 9.23947 8.95689 12.1186 8.85416 17.7697 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 6.12267 7.41937 4.26531 5.55985 6.04303 9.70856 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 6.12267 7.41937 4.26531 6.9953 8.27009 8.17929 numMergedOcc 0
7 mol 67 unq 2 iso 0 dist 6.12267 6.07108 6.56501 5.55985 6.04303 10.4211 numMergedOcc 0
8 mol 67 unq 3 iso 0 dist 6.12267 6.07108 6.56501 6.9953 8.27009 5.63802 numMergedOcc 0
9 mol 67 unq 4 iso 0 dist 8.27009 9.42982 14.2762 10.6111 6.04303 18.6755 numMergedOcc 0
10 mol 67 unq 5 iso 0 dist 8.27009 9.42982 14.2762 6.9953 6.12267 15.901 numMergedOcc 0
11 mol 67 unq 6 iso 0 dist 8.27009 8.17929 4.26531 10.6111 6.04303 9.70856 numMergedOcc 0
12 mol 67 unq 7 iso 0 dist 8.27009 8.17929 4.26531 6.9953 6.12267 7.41937 numMergedOcc 0
13 mol 67 unq 8 iso 0 dist 8.27009 5.63802 6.56501 10.6111 6.04303 10.4211 numMergedOcc 0
14 mol 67 unq 9 iso 0 dist 8.27009 5.63802 6.56501 6.9953 6.12267 6.07108 numMergedOcc 0
15 mol 67 unq 10 iso 0 dist 8.43162 7.41937 11.1043 5.55985 7.15248 9.70856 numMergedOcc 0
16 mol 67 unq 11 iso 0 dist 8.43162 6.07108 12.2002 5.55985 7.15248 10.4211 numMergedOcc 0
17 mol 79 unq 0 iso 0 dist 8.64686 7.99438 14.0351 12.6473 8.61089 20.0324 numMergedOcc 0
18 mol 79 unq 1 iso 0 dist 8.64686 6.64915 13.4228 12.6473 8.61089 17.8173 numMergedOcc 0
19 mol 87 unq 0 iso 0 dist 7.57471 8.59105 4.99645 6.69898 9.90256 10.3471 numMergedOcc 0
20 mol 137 unq 0 iso 0 dist 9.1425 9.92905 9.84058 4.14905 8.77618 13.1149 numMergedOcc 0
21 mol 148 unq 0 iso 0 dist 8.6953 6.86997 4.74651 10.8037 9.18753 11.5345 numMergedOcc 0
22 mol 148 unq 1 iso 0 dist 8.6953 7.46919 9.03832 10.8037 9.18753 14.2261 numMergedOcc 0
23 mol 148 unq 2 iso 0 dist 8.6953 8.24581 10.0113 10.8037 9.18753 16.7258 numMergedOcc 0
24 mol 150 unq 0 iso 0 dist 8.65967 6.79381 4.75241 10.8647 9.15244 11.5855 numMergedOcc 0
25 mol 150 unq 1 iso 0 dist 8.65967 7.36989 9.0892 10.8647 9.15244 14.2195 numMergedOcc 0
26 mol 150 unq 2 iso 0 dist 8.65967 8.17805 10.21 10.8647 9.15244 16.8342 numMergedOcc 0
27 mol 162 unq 0 iso 0 dist 9.96586 8.11292 4.05981 10.1297 7.30751 8.54006 numMergedOcc 0
28 mol 162 unq 1 iso 0 dist 7.30751 8.54006 4.05981 10.1297 9.96586 8.11292 numMergedOcc 0
29 mol 175 unq 0 iso 0 dist 7.03107 8.79832 11.4777 4.6893 7.30813 13.4012 numMergedOcc 0
30 mol 204 unq 0 iso 0 dist 6.20044 9.23676 4.92804 8.63339 6.62514 11.3539 numMergedOcc 0
31 mol 204 unq 1 iso 0 dist 6.20044 9.23676 4.92804 11.09 9.41996 12.209 numMergedOcc 0
32 mol 220 unq 0 iso 0 dist 8.57174 7.46122 15.6078 12.1405 6.80214 17.1912 numMergedOcc 0
33 mol 230 unq 0 iso 0 dist 9.14989 9.07808 4.32112 7.8679 8.47036 11.643 numMergedOcc 0
34 mol 236 unq 0 iso 0 dist 7.74348 8.88405 8.64384 15.386 8.63249 16.7681 numMergedOcc 0
35 mol 236 unq 1 iso 0 dist 7.74348 7.13854 9.7977 15.386 8.63249 17.4661 numMergedOcc 0
36 mol 261 unq 0 iso 0 dist 4.85199 6.45102 5.52134 4.70691 6.0437 10.2519 numMergedOcc 0
37 mol 261 unq 1 iso 0 dist 4.85199 6.45102 5.52134 6.43452 9.13604 9.20425 numMergedOcc 0
38 mol 261 unq 2 iso 0 dist 9.13604 9.20425 5.52134 9.51335 6.0437 10.2519 numMergedOcc 0
39 mol 261 unq 3 iso 0 dist 9.13604 9.20425 5.52134 6.43452 4.85199 6.45102 numMergedOcc 0
40 mol 261 unq 4 iso 0 dist 9.72159 6.45102 7.0673 6.43452 6.89731 9.20425 numMergedOcc 0
41 mol 261 unq 5 iso 0 dist 6.89731 9.20425 7.0673 6.43452 9.72159 6.45102 numMergedOcc 0
42 mol 266 unq 0 iso 0 dist 8.8646 9.54381 14.5123 6.70676 7.9555 16.083 numMergedOcc 0
43 mol 272 unq 0 iso 0 dist 6.69245 8.86801 3.93924 6.08002 7.90763 7.15093 numMergedOcc 0
44 mol 272 unq 1 iso 0 dist 7.90763 7.15093 3.93924 6.08002 6.69245 8.86801 numMergedOcc 0
45 mol 282 unq 0 iso 0 dist 6.04225 8.42086 4.0078 4.79603 5.00258 7.84236 numMergedOcc 0
46 mol 282 unq 1 iso 0 dist 6.04225 8.42086 4.0078 9.24679 8.22117 11.8833 numMergedOcc 0
47 mol 282 unq 2 iso 0 dist 5.00258 7.84236 4.0078 4.79603 6.04225 8.42086 numMergedOcc 0
48 mol 282 unq 3 iso 0 dist 5.00258 7.84236 4.0078 5.92133 8.22117 11.8833 numMergedOcc 0
49 mol 282 unq 4 iso 0 dist 9.98886 7.84236 12.9261 5.92133 6.81887 11.8833 numMergedOcc 0
