0 mol 20 unq 0 iso 0 dist 9.2233 9.98157 4.49878 12.9008 11.1324 8.26091 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.16033 6.77802 3.85506 3.42062 9.42099 9.05737 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.31952 9.48328 10.8889 8.11968 7.20729 8.65524 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 8.31952 9.48328 10.8889 12.3188 13.73 8.96151 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 8.31952 9.48328 10.8889 9.72788 11.6534 9.02535 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 8.01382 8.06894 3.23074 11.2724 11.219 8.14512 numMergedOcc 0
6 mol 63 unq 1 iso 0 dist 7.77386 5.89846 3.23074 6.63195 11.219 8.14512 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 5.99046 8.15861 11.3242 3.81285 9.07499 6.67137 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 5.99046 8.15861 11.3242 6.17121 10.671 7.04244 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 5.99046 9.27814 8.44 11.9486 12.394 4.18248 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 7.24843 8.23294 5.01255 3.27874 5.56839 5.20429 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 7.24843 8.2702 9.11323 3.27874 5.56839 8.71366 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 7.63783 8.23294 8.98901 3.27874 7.83506 5.20429 numMergedOcc 0
13 mol 93 unq 3 iso 0 dist 7.63783 8.2702 8.52329 3.27874 7.83506 8.71366 numMergedOcc 0
14 mol 93 unq 4 iso 0 dist 6.70158 8.61597 14.19 6.46195 11.4564 9.66837 numMergedOcc 0
15 mol 93 unq 5 iso 0 dist 7.29701 8.61597 6.4154 6.46195 12.0199 9.66837 numMergedOcc 0
16 mol 123 unq 0 iso 0 dist 7.36361 8.09682 7.88813 3.61945 7.30244 5.56127 numMergedOcc 0
17 mol 123 unq 1 iso 0 dist 7.36361 8.35926 4.10526 5.85997 9.42762 8.78115 numMergedOcc 0
18 mol 123 unq 2 iso 0 dist 7.36361 8.35926 4.10526 3.61945 7.30244 8.03692 numMergedOcc 0
19 mol 123 unq 3 iso 0 dist 7.36361 7.41568 12.6384 3.61945 7.30244 5.36214 numMergedOcc 0
20 mol 141 unq 0 iso 0 dist 6.93424 8.14978 3.80763 9.809 8.38715 4.88514 numMergedOcc 0
21 mol 141 unq 1 iso 0 dist 6.8891 8.14978 9.98068 9.809 13.9606 4.88514 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 7.71806 4.55528 3.7326 4.02402 8.43182 5.10542 numMergedOcc 0
23 mol 194 unq 1 iso 0 dist 7.71806 4.42095 7.29209 3.83542 11.0347 5.18325 numMergedOcc 0
24 mol 194 unq 2 iso 0 dist 7.71806 4.42095 7.29209 4.02402 8.43182 4.68722 numMergedOcc 0
25 mol 225 unq 0 iso 0 dist 8.84033 5.65735 3.87855 6.46348 10.9182 9.54529 numMergedOcc 0
26 mol 281 unq 0 iso 0 dist 6.67593 7.43535 3.78169 3.86368 6.18742 7.90368 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 8.58448 8.15636 12.1224 11.4888 16.9392 6.24487 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 8.58448 8.15636 12.1224 11.4888 16.9392 6.24487 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 8.58448 8.15636 12.1224 11.4888 16.9392 6.24487 numMergedOcc 0
