0 mol 8 unq 0 iso 0 dist 8.76702 4.11115 8.89145 8.37509 5.7343 9.00925 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.27477 4.11115 6.92865 8.37509 11.3728 9.00925 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 8.48453 5.21083 6.53817 12.1881 11.7814 9.26685 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 8.80499 5.21083 9.81769 12.1881 14.8418 9.26685 numMergedOcc 0
4 mol 42 unq 0 iso 0 dist 7.06199 10.2834 8.52254 13.2867 6.73507 8.84148 numMergedOcc 0
5 mol 51 unq 0 iso 0 dist 7.7625 10.401 9.06397 11.3631 5.27155 7.95419 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 6.6606 9.1401 7.14865 12.8442 9.51008 7.19203 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.65229 11.4776 5.81552 13.0796 9.60908 9.42175 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 4.93984 4.72853 8.58946 12.6803 13.1346 9.82329 numMergedOcc 0
9 mol 175 unq 0 iso 0 dist 7.04318 8.21784 6.73365 7.01007 6.15969 8.6609 numMergedOcc 0
10 mol 175 unq 1 iso 0 dist 7.04318 8.21784 6.73365 10.6965 5.50014 6.21546 numMergedOcc 0
11 mol 175 unq 2 iso 0 dist 7.04318 8.21784 6.73365 12.0647 7.28617 6.03184 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 6.96824 13.2658 9.63295 10.7353 5.16386 6.47689 numMergedOcc 0
13 mol 210 unq 0 iso 0 dist 7.19917 7.45619 8.07523 8.87835 5.82028 6.24111 numMergedOcc 0
14 mol 210 unq 1 iso 0 dist 7.19917 7.45619 8.07523 8.93859 4.62641 8.60412 numMergedOcc 0
15 mol 210 unq 2 iso 0 dist 7.19917 4.70332 7.56882 8.87835 5.82028 9.00343 numMergedOcc 0
16 mol 210 unq 3 iso 0 dist 7.19917 4.70332 7.56882 8.93859 4.62641 7.05535 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 5.52981 6.43128 9.88212 10.7321 9.38348 9.86417 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 7.96424 4.36623 7.30244 7.03223 10.48 7.35148 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 5.40366 4.36623 7.29796 7.03223 5.23846 7.35148 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 7.69537 9.41461 7.04127 13.2281 6.46679 6.6537 numMergedOcc 0
21 mol 224 unq 1 iso 0 dist 7.69537 9.41461 7.04127 7.73616 7.85135 9.08719 numMergedOcc 0
22 mol 231 unq 0 iso 0 dist 8.17766 6.17101 9.98232 9.16488 5.3251 7.28719 numMergedOcc 0
23 mol 231 unq 1 iso 0 dist 9.84965 14.1831 9.98232 14.1681 5.3251 7.28719 numMergedOcc 0
24 mol 241 unq 0 iso 0 dist 8.62971 7.14491 6.40592 8.99792 4.86437 9.174 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 5.76077 11.6981 8.07341 14.0812 11.4733 9.58767 numMergedOcc 0
26 mol 253 unq 1 iso 0 dist 7.0247 12.0836 8.07341 12.2223 11.4733 9.58767 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 6.49599 6.96133 6.96379 10.3275 5.71237 6.76656 numMergedOcc 0
28 mol 261 unq 0 iso 0 dist 7.7309 11.0146 9.43169 10.703 8.80293 6.41477 numMergedOcc 0
29 mol 265 unq 0 iso 0 dist 4.96568 11.7587 7.54805 17.8101 15.4199 9.56472 numMergedOcc 0
30 mol 265 unq 1 iso 0 dist 4.96568 11.7587 7.54805 16.7978 12.4903 6.5072 numMergedOcc 0
31 mol 265 unq 2 iso 0 dist 4.96568 11.7587 7.54805 9.97669 5.11366 4.03921 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 9.27588 11.574 7.72749 17.8125 10.2159 9.58577 numMergedOcc 0
33 mol 272 unq 0 iso 0 dist 7.22438 10.4121 4.78812 12.4008 5.96981 7.50321 numMergedOcc 0
34 mol 272 unq 1 iso 0 dist 7.22438 10.4121 4.78812 10.2183 6.76845 9.61597 numMergedOcc 0
35 mol 272 unq 2 iso 0 dist 7.66615 10.4121 6.62923 12.4008 7.55961 7.50321 numMergedOcc 0
36 mol 272 unq 3 iso 0 dist 7.66615 10.4121 6.62923 10.2183 5.43733 9.61597 numMergedOcc 0
37 mol 276 unq 0 iso 0 dist 6.24808 7.74891 8.95876 16.2114 13.702 9.68846 numMergedOcc 0
38 mol 279 unq 0 iso 0 dist 8.27977 8.89193 5.17586 8.85653 6.03718 8.57035 numMergedOcc 0
39 mol 282 unq 0 iso 0 dist 7.70229 5.64349 6.84554 9.40138 4.58403 7.93511 numMergedOcc 0
40 mol 282 unq 1 iso 0 dist 7.90792 5.64349 9.51581 9.40138 5.04235 7.93511 numMergedOcc 0
