0 mol 30 unq 0 iso 0 dist 8.609 10.8023 8.37503 13.256 4.94076 8.90581 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 7.10899 11.042 6.85305 15.0599 8.04976 8.58962 numMergedOcc 0
2 mol 36 unq 0 iso 0 dist 8.13896 7.71418 6.29647 12.5065 5.52411 9.53334 numMergedOcc 0
3 mol 64 unq 0 iso 0 dist 8.99491 7.89444 5.54343 6.23138 6.21578 9.23947 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 8.65898 13.1954 8.64208 18.037 9.67324 9.42982 numMergedOcc 0
5 mol 67 unq 1 iso 0 dist 8.65898 13.1954 8.64208 19.071 14.5039 8.17929 numMergedOcc 0
6 mol 67 unq 2 iso 0 dist 8.65898 13.1954 8.64208 18.0863 13.6485 5.63802 numMergedOcc 0
7 mol 83 unq 0 iso 0 dist 9.21173 11.9566 7.77558 12.1412 4.64757 7.65069 numMergedOcc 0
8 mol 155 unq 0 iso 0 dist 4.44292 7.64573 8.66709 9.8386 6.3363 9.83653 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 9.97921 12.2516 9.89142 12.0536 4.20425 9.31025 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 6.07091 5.24208 6.01711 8.81813 11.5561 6.4751 numMergedOcc 0
11 mol 171 unq 1 iso 0 dist 6.07091 5.24208 6.01711 10.1083 10.844 5.75085 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 8.1088 4.52935 8.70197 10.3724 4.98294 8.79135 numMergedOcc 0
13 mol 185 unq 0 iso 0 dist 9.878 14.5353 9.59096 12.9878 4.74713 6.68054 numMergedOcc 0
14 mol 185 unq 1 iso 0 dist 9.21149 9.5349 9.59096 10.8015 4.74713 6.68054 numMergedOcc 0
15 mol 253 unq 0 iso 0 dist 5.89502 7.60327 8.53729 9.9605 5.78064 9.29788 numMergedOcc 0
16 mol 253 unq 1 iso 0 dist 5.89502 9.90493 8.07341 9.9605 5.78064 9.50983 numMergedOcc 0
17 mol 253 unq 2 iso 0 dist 7.15815 13.127 8.53729 9.69704 5.78064 9.29788 numMergedOcc 0
18 mol 253 unq 3 iso 0 dist 7.15815 14.7487 8.07341 9.69704 5.78064 9.50983 numMergedOcc 0
19 mol 256 unq 0 iso 0 dist 7.67598 6.78978 8.43264 10.2924 5.28793 7.54955 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 9.73983 13.4973 7.6414 14.9602 6.18925 6.45102 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 7.74162 6.05412 5.17586 12.4522 11.5885 9.24164 numMergedOcc 0
