0 mol 95 unq 0 iso 0 dist 8.4204 7.84956 12.8132 6.30451 14.4656 9.11547 numMergedOcc 0
1 mol 95 unq 1 iso 0 dist 8.4204 8.57607 15.7954 6.30451 14.4656 8.23073 numMergedOcc 0
2 mol 133 unq 0 iso 0 dist 5.08086 7.32009 5.46083 11.1053 11.4043 9.79486 numMergedOcc 0
3 mol 162 unq 0 iso 0 dist 8.27017 9.71155 10.518 10.3808 14.628 6.51243 numMergedOcc 0
4 mol 173 unq 0 iso 0 dist 8.76228 8.46046 11.3761 5.43254 9.31172 6.95244 numMergedOcc 0
5 mol 173 unq 1 iso 0 dist 8.76228 7.48065 4.60149 5.43254 9.31172 6.11224 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 6.19189 6.04336 3.78314 6.78172 8.5303 5.27578 numMergedOcc 0
7 mol 186 unq 1 iso 0 dist 6.19189 6.04336 3.78314 7.52575 11.0449 8.25953 numMergedOcc 0
8 mol 205 unq 0 iso 0 dist 6.32542 6.32553 5.28417 6.2884 5.63477 6.75579 numMergedOcc 0
9 mol 214 unq 0 iso 0 dist 6.90717 5.56977 3.91276 8.09631 11.7756 8.89981 numMergedOcc 0
10 mol 217 unq 0 iso 0 dist 5.88992 8.28155 9.98266 12.5047 15.9489 6.58871 numMergedOcc 0
11 mol 217 unq 1 iso 0 dist 5.19677 7.83824 4.17047 7.44745 7.63191 8.98494 numMergedOcc 0
12 mol 226 unq 0 iso 0 dist 8.31751 8.34875 5.99712 4.09525 5.3747 8.31266 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 5.74541 8.56943 10.2835 6.31042 11.6669 8.68934 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 9.94034 8.83148 10.8084 6.96816 9.85821 5.99355 numMergedOcc 0
15 mol 279 unq 0 iso 0 dist 5.02385 9.88022 11.7578 5.98914 7.66302 5.61134 numMergedOcc 0
