0 mol 25 unq 0 iso 0 dist 9.94577 9.36442 4.79873 12.0204 7.44277 5.63212 16.0243 10.2864 7.57578 10.9703 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.94577 9.36442 4.79873 12.0204 7.44277 5.63212 14.4726 11.4148 7.17969 10.3338 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.03914 12.1132 6.66407 7.70908 9.50614 11.4153 12.5807 5.07458 5.73819 13.8936 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.03914 12.1132 6.66407 15.2015 8.34145 4.96926 12.5807 5.07458 5.73819 6.75943 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 9.04174 9.97169 6.66407 5.20386 9.50614 11.4153 12.2944 5.07458 5.73819 13.8936 numMergedOcc 0
5 mol 43 unq 3 iso 0 dist 9.04174 9.97169 6.66407 9.28401 8.34145 4.96926 12.2944 5.07458 5.73819 6.75943 numMergedOcc 0
6 mol 43 unq 4 iso 0 dist 9.23033 6.6796 6.6263 9.74667 8.34145 10.8828 13.3486 5.41726 8.80331 10.0168 numMergedOcc 0
7 mol 43 unq 5 iso 0 dist 9.23033 10.2523 6.75943 9.74667 8.34145 5.07458 12.49 4.96926 5.73819 6.66407 numMergedOcc 0
8 mol 43 unq 6 iso 0 dist 9.23033 10.2523 6.75943 9.74667 8.34145 5.07458 13.3486 5.41726 6.20293 10.0168 numMergedOcc 0
9 mol 43 unq 7 iso 0 dist 9.23033 10.2523 6.75943 9.74667 8.34145 5.07458 17.9394 10.0383 8.93915 10.9975 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 7.91605 6.71593 5.5087 4.19129 8.46627 6.41115 14.6361 11.2069 8.70481 15.0347 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 6.43707 6.71593 6.08682 4.19129 9.22208 6.41115 14.6361 10.6713 8.70481 15.0347 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 6.98077 5.50335 6.93139 10.3696 7.5573 7.21225 10.0634 4.97996 8.70949 10.4778 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 5.44814 5.4432 5.37047 12.4579 9.29944 7.39837 9.32441 4.78563 5.99315 5.40637 numMergedOcc 0
14 mol 170 unq 0 iso 0 dist 8.95292 11.2005 9.51256 13.0899 8.75024 5.7304 11.2959 4.78249 9.76807 10.7199 numMergedOcc 0
15 mol 178 unq 0 iso 0 dist 6.95432 12.2822 7.06025 6.12844 7.86352 10.8974 8.0974 6.42973 6.69288 9.79683 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 9.82338 10.568 6.61112 9.33116 8.5672 10.8286 16.7935 11.0961 7.54065 17.8564 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 5.07975 5.66819 5.56538 6.84149 8.14294 8.34852 11.0097 6.84862 7.21333 12.0171 numMergedOcc 0
18 mol 222 unq 1 iso 0 dist 4.85015 5.66819 7.48954 6.84149 5.72 8.34852 11.0097 9.53117 7.21333 12.0171 numMergedOcc 0
19 mol 243 unq 0 iso 0 dist 8.07313 5.14134 8.69318 8.17555 8.30024 10.2068 10.6972 5.71505 8.23192 10.5519 numMergedOcc 0
20 mol 243 unq 1 iso 0 dist 8.07313 5.14134 8.69318 7.40657 8.20943 5.74165 10.6972 5.71505 8.23192 7.10671 numMergedOcc 0
