0 mol 16 unq 0 iso 0 dist 6.04965 5.8404 4.86568 10.8735 5.39089 6.62144 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.32791 5.28404 4.7319 11.4198 6.51133 6.72833 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 6.34277 5.55893 5.04899 8.98227 7.33728 7.45383 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 6.34277 5.55893 5.04899 12.697 13.9331 9.01548 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 9.40763 6.7276 5.04899 13.0625 7.33728 7.45383 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 9.40763 6.7276 5.04899 11.3603 13.9331 9.01548 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 8.46842 13.3513 7.57578 14.0507 6.08585 8.50222 numMergedOcc 0
7 mol 25 unq 5 iso 0 dist 8.46842 14.4516 7.17969 14.0507 6.08585 7.55264 numMergedOcc 0
8 mol 25 unq 6 iso 0 dist 9.07927 6.44262 7.31767 13.1674 5.64303 8.6653 numMergedOcc 0
9 mol 25 unq 7 iso 0 dist 8.50987 6.44262 6.03987 13.1674 5.82503 8.6653 numMergedOcc 0
10 mol 52 unq 0 iso 0 dist 9.6112 9.99897 7.34143 14.052 6.66056 6.31696 numMergedOcc 0
11 mol 52 unq 1 iso 0 dist 6.08894 6.01116 7.34143 8.72923 6.66056 6.31696 numMergedOcc 0
12 mol 52 unq 2 iso 0 dist 9.02308 4.98024 7.34143 6.68656 6.66056 6.31696 numMergedOcc 0
13 mol 54 unq 0 iso 0 dist 7.89001 12.2366 9.5589 15.9733 15.293 7.21717 numMergedOcc 0
14 mol 95 unq 0 iso 0 dist 6.5136 11.085 8.03644 16.8486 11.4333 9.49454 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 7.02792 11.4302 9.35224 13.8692 10.0456 7.01812 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 7.02792 6.20162 6.56369 13.8692 10.0456 8.30845 numMergedOcc 0
17 mol 100 unq 2 iso 0 dist 7.02792 6.20162 6.56369 8.11279 4.97045 8.76378 numMergedOcc 0
18 mol 113 unq 0 iso 0 dist 9.34456 4.83846 5.86073 10.0722 10.1816 8.8822 numMergedOcc 0
19 mol 113 unq 1 iso 0 dist 9.34456 4.83846 5.86073 11.8917 8.42718 9.66219 numMergedOcc 0
20 mol 129 unq 0 iso 0 dist 9.06272 10.7142 5.83384 12.2505 10.7293 9.36851 numMergedOcc 0
21 mol 129 unq 1 iso 0 dist 9.06272 10.7142 5.83384 12.3006 7.29399 4.97175 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 7.49404 7.91807 8.40312 13.0273 7.7567 9.90168 numMergedOcc 0
23 mol 131 unq 1 iso 0 dist 6.44766 7.69184 6.85062 17.2756 13.7237 9.90168 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 7.85025 4.26332 6.29155 9.196 4.54648 6.16242 numMergedOcc 0
25 mol 133 unq 1 iso 0 dist 7.85025 11.5948 6.80239 9.196 4.54648 5.87634 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 8.31743 10.2414 9.89303 11.1414 4.60632 7.69991 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 8.5778 10.2414 6.54501 11.1414 5.71679 7.69991 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 8.5778 13.5276 6.49416 11.1414 5.71679 6.23142 numMergedOcc 0
29 mol 182 unq 0 iso 0 dist 7.21035 8.27436 9.31746 11.4047 7.68794 6.73956 numMergedOcc 0
30 mol 182 unq 1 iso 0 dist 7.21035 8.27436 9.31746 9.60838 9.37404 7.09394 numMergedOcc 0
31 mol 186 unq 0 iso 0 dist 8.58465 10.9291 9.70748 12.5011 5.4141 7.66165 numMergedOcc 0
32 mol 186 unq 1 iso 0 dist 8.58465 6.37463 7.54065 14.51 11.7429 8.73217 numMergedOcc 0
33 mol 204 unq 0 iso 0 dist 9.65951 9.99471 8.51516 12.9264 5.86489 7.32294 numMergedOcc 0
34 mol 204 unq 1 iso 0 dist 9.14829 13.2127 8.51516 14.6586 5.86489 7.32294 numMergedOcc 0
35 mol 220 unq 0 iso 0 dist 9.05754 15.9524 9.23153 15.5177 7.11498 6.59716 numMergedOcc 0
36 mol 229 unq 0 iso 0 dist 9.68636 10.705 8.22528 15.5316 6.65022 8.66332 numMergedOcc 0
37 mol 232 unq 0 iso 0 dist 6.94983 5.08111 8.27212 8.70651 4.9377 9.40808 numMergedOcc 0
38 mol 234 unq 0 iso 0 dist 9.5181 9.15708 9.36357 16.4345 10.641 9.81425 numMergedOcc 0
