0 mol 46 unq 0 iso 0 dist 9.47956 11.9271 5.4713 20.5218 12.3186 9.45756 numMergedOcc 0
1 mol 46 unq 1 iso 0 dist 7.34647 10.4423 5.4713 15.8035 12.3186 9.45756 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.65524 7.45035 4.27766 8.58763 6.41115 7.37171 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.65524 7.45035 4.27766 7.27994 5.9144 8.62079 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 5.89511 5.85546 9.50709 5.73169 4.60151 6.38004 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 4.54933 7.5374 4.30875 6.70974 5.70579 9.59585 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 4.54933 6.20187 8.65807 6.70974 5.70579 9.7073 numMergedOcc 0
7 mol 113 unq 2 iso 0 dist 8.97239 12.3056 4.30875 7.37883 5.70579 9.59585 numMergedOcc 0
8 mol 113 unq 3 iso 0 dist 8.97239 6.316 8.65807 7.37883 5.70579 9.7073 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 9.93813 10.7387 4.55071 14.384 6.30721 4.80684 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 9.93813 10.7387 4.55071 11.4409 10.5082 7.60162 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 6.7919 12.75 6.76852 11.5059 5.76063 6.09063 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 9.32395 12.75 4.94473 11.5059 4.63567 6.09063 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 7.66537 11.4226 8.21227 18.5427 13.2594 7.48734 numMergedOcc 0
14 mol 168 unq 1 iso 0 dist 7.66537 11.4226 8.21227 14.1148 10.7557 5.6125 numMergedOcc 0
15 mol 169 unq 0 iso 0 dist 4.79597 7.73114 4.11374 6.67261 5.7891 9.37946 numMergedOcc 0
16 mol 169 unq 1 iso 0 dist 4.79597 5.97439 8.37602 6.67261 5.7891 9.13646 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 7.65346 6.62892 7.99036 9.10311 6.03044 9.57465 numMergedOcc 0
18 mol 228 unq 0 iso 0 dist 8.44994 6.25135 8.92379 13.7764 9.3302 9.25785 numMergedOcc 0
19 mol 228 unq 1 iso 0 dist 8.15817 6.31957 9.06403 13.4738 9.39743 9.01231 numMergedOcc 0
20 mol 251 unq 0 iso 0 dist 7.07137 13.3832 7.72528 14.0618 11.5298 8.45764 numMergedOcc 0
