0 mol 25 unq 0 iso 0 dist 8.46842 13.3513 7.57578 14.4516 7.17969 4.33106 14.0507 6.08585 8.50222 7.55264 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.46842 14.4516 7.17969 13.3513 7.57578 4.33106 14.0507 6.08585 7.55264 8.50222 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 6.5136 11.085 8.03644 7.08612 7.27724 8.41707 16.8486 11.4333 9.49454 12.1092 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 7.02792 11.4302 9.35224 6.20162 6.56369 5.88134 13.8692 10.0456 7.01812 8.30845 numMergedOcc 0
4 mol 100 unq 1 iso 0 dist 7.02792 6.20162 6.56369 11.4302 9.35224 5.88134 13.8692 10.0456 8.30845 7.01812 numMergedOcc 0
5 mol 100 unq 2 iso 0 dist 7.02792 6.20162 6.56369 11.4302 9.35224 5.88134 8.11279 4.97045 8.76378 10.0635 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 9.06272 10.7142 5.83384 8.2292 9.61051 9.05135 12.2505 10.7293 9.36851 16.0242 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 9.06272 10.7142 5.83384 8.2292 9.61051 9.05135 12.3006 7.29399 4.97175 13.4182 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 7.85025 4.26332 6.29155 11.5948 6.80239 7.81217 9.196 4.54648 6.16242 5.87634 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 7.85025 4.26332 6.29155 13.8058 8.00618 11.965 9.196 4.54648 6.16242 10.9061 numMergedOcc 0
10 mol 133 unq 2 iso 0 dist 7.85025 11.5948 6.80239 4.26332 6.29155 7.81217 9.196 4.54648 5.87634 6.16242 numMergedOcc 0
11 mol 133 unq 3 iso 0 dist 7.85025 11.5948 6.80239 13.8058 8.00618 7.79672 9.196 4.54648 5.87634 10.9061 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 8.5778 10.2414 6.54501 13.5276 6.49416 5.00526 11.1414 5.71679 7.69991 6.23142 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 8.5778 13.5276 6.49416 10.2414 6.54501 5.00526 11.1414 5.71679 6.23142 7.69991 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.58465 10.9291 9.70748 6.37463 7.54065 13.8792 12.5011 5.4141 7.66165 12.4002 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 8.58465 10.9291 9.70748 5.22923 8.87694 14.9058 12.5011 5.4141 7.66165 14.0016 numMergedOcc 0
16 mol 186 unq 2 iso 0 dist 8.58465 6.37463 7.54065 10.9291 9.70748 13.8792 14.51 11.7429 8.73217 17.7621 numMergedOcc 0
17 mol 186 unq 3 iso 0 dist 8.58465 6.37463 7.54065 5.22923 8.87694 5.74635 14.51 11.7429 8.73217 14.2425 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 9.65951 9.99471 8.51516 11.5989 7.10633 10.8344 12.9264 5.86489 7.32294 11.5776 numMergedOcc 0
19 mol 204 unq 1 iso 0 dist 9.14829 13.2127 8.51516 6.73339 7.10633 10.8344 14.6586 5.86489 7.32294 11.5776 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 9.05754 15.9524 9.23153 10.0641 8.24498 10.5449 15.5177 7.11498 6.59716 13.1498 numMergedOcc 0
21 mol 229 unq 0 iso 0 dist 9.68636 10.705 8.22528 5.6419 7.03423 5.57838 15.5316 6.65022 8.66332 11.1976 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 9.5181 9.15708 9.36357 4.94699 6.7625 5.88703 16.4345 10.641 9.81425 13.293 numMergedOcc 0
