0 mol 11 unq 0 iso 0 dist 5.70364 8.12184 6.19452 7.89746 10.9589 8.7143 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 8.27424 9.52676 11.8691 9.32021 15.4353 7.03307 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 6.4519 9.52676 8.59733 9.32021 12.6274 7.03307 numMergedOcc 0
3 mol 120 unq 0 iso 0 dist 9.32214 7.41599 6.71699 6.25626 9.27951 6.03352 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 5.17641 9.96946 11.7935 15.9537 15.344 8.91311 numMergedOcc 0
5 mol 130 unq 1 iso 0 dist 9.64577 9.96946 10.009 15.9537 18.4958 8.91311 numMergedOcc 0
6 mol 130 unq 2 iso 0 dist 7.22721 9.96946 15.9635 15.9537 23.0166 8.91311 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 8.74464 8.74658 11.127 6.53994 10.1423 5.56627 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 8.74464 8.74658 11.127 13.4383 10.5132 8.50562 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 6.52227 9.45931 13.2639 12.0446 17.6223 6.73983 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 6.52227 9.45931 13.2639 15.1652 20.6982 8.6387 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 6.52227 6.35397 10.9097 12.0446 17.6223 7.64956 numMergedOcc 0
12 mol 196 unq 0 iso 0 dist 6.21436 6.34867 4.0207 11.9044 12.3438 9.76411 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 6.99474 6.21588 11.5701 10.2224 15.8349 5.91727 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 8.8495 9.47112 10.1547 11.7574 16.9865 8.07076 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 8.8495 9.47112 10.1547 12.8469 15.6482 5.95375 numMergedOcc 0
16 mol 205 unq 2 iso 0 dist 8.8495 9.47112 10.1547 15.0925 17.2119 9.17946 numMergedOcc 0
17 mol 205 unq 3 iso 0 dist 8.00688 9.47112 4.9739 11.7574 12.3466 8.07076 numMergedOcc 0
18 mol 205 unq 4 iso 0 dist 8.00688 9.47112 4.9739 12.8469 10.7311 5.95375 numMergedOcc 0
19 mol 205 unq 5 iso 0 dist 8.00688 9.47112 4.9739 15.0925 13.0085 9.17946 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 7.49227 8.85568 11.032 5.98086 12.5215 7.95359 numMergedOcc 0
21 mol 237 unq 0 iso 0 dist 9.66939 6.78301 10.2169 12.2119 11.9161 6.07878 numMergedOcc 0
