0 mol 43 unq 0 iso 0 dist 8.90024 9.35453 13.5667 18.5048 9.74445 22.5165 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.96446 6.15011 8.70803 14.2688 7.86724 12.2742 numMergedOcc 0
2 mol 133 unq 0 iso 0 dist 7.5055 8.91143 5.81428 7.43569 9.4473 5.80404 numMergedOcc 0
3 mol 134 unq 0 iso 0 dist 4.68975 7.85849 4.60632 8.95641 7.78849 9.46933 numMergedOcc 0
4 mol 186 unq 0 iso 0 dist 9.52413 8.34668 15.1778 4.62432 7.66381 12.8804 numMergedOcc 0
5 mol 186 unq 1 iso 0 dist 9.52413 8.76308 8.14815 4.62432 7.66381 9.53805 numMergedOcc 0
6 mol 197 unq 0 iso 0 dist 7.70631 9.3055 7.16732 16.2482 8.64255 11.7476 numMergedOcc 0
7 mol 205 unq 0 iso 0 dist 6.11505 6.79634 11.6232 5.03046 8.43584 6.05667 numMergedOcc 0
8 mol 227 unq 0 iso 0 dist 9.66521 9.45021 9.98177 5.34424 9.18675 7.17024 numMergedOcc 0
9 mol 235 unq 0 iso 0 dist 5.60236 8.08581 5.5163 7.33514 9.71281 12.6417 numMergedOcc 0
10 mol 235 unq 1 iso 0 dist 9.03917 5.98104 5.5163 10.7399 9.71281 12.6417 numMergedOcc 0
11 mol 274 unq 0 iso 0 dist 9.13226 6.74022 5.29529 11.0263 9.696 13.0106 numMergedOcc 0
12 mol 277 unq 0 iso 0 dist 9.38793 7.64361 16.4697 12.7183 6.60309 19.9358 numMergedOcc 0
13 mol 277 unq 1 iso 0 dist 7.151 6.71956 6.28695 13.1772 9.98528 13.4835 numMergedOcc 0
14 mol 277 unq 2 iso 0 dist 8.53324 6.71956 4.37645 7.09461 9.02914 5.92532 numMergedOcc 0
15 mol 277 unq 3 iso 0 dist 7.23956 6.71956 7.70529 7.09461 6.90434 5.92532 numMergedOcc 0
16 mol 278 unq 0 iso 0 dist 9.91518 6.9592 14.3412 5.49004 9.82774 8.20933 numMergedOcc 0
17 mol 284 unq 0 iso 0 dist 9.98268 6.53769 15.3251 8.92414 8.27793 15.1875 numMergedOcc 0
18 mol 285 unq 0 iso 0 dist 8.33653 8.51221 10.4903 8.64319 8.71213 8.7964 numMergedOcc 0
