0 mol 29 unq 0 iso 0 dist 6.73481 9.50033 7.50258 3.97609 6.04161 5.97852 13.5144 9.88128 9.99467 12.6435 numMergedOcc 0
1 mol 129 unq 0 iso 0 dist 7.13958 4.74644 7.6453 9.63308 9.31543 9.82512 9.0455 5.0466 6.65878 11.4776 numMergedOcc 0
2 mol 129 unq 1 iso 0 dist 7.13958 4.74644 7.6453 9.05571 8.85652 6.31483 9.0455 5.0466 6.65878 8.09774 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 7.17051 5.9683 9.2759 3.75291 5.9959 4.85121 12.6339 14.0828 6.9268 10.2321 numMergedOcc 0
4 mol 133 unq 1 iso 0 dist 7.17051 5.9683 9.2759 3.75291 5.9959 4.85121 12.8104 11.5586 8.19166 10.9863 numMergedOcc 0
5 mol 139 unq 0 iso 0 dist 5.77343 4.19005 8.78382 4.37138 7.20542 3.82037 8.49892 4.94393 9.71665 7.02063 numMergedOcc 0
6 mol 187 unq 0 iso 0 dist 5.82577 4.75665 8.0501 5.93957 5.7938 3.94358 7.81168 8.91643 7.87608 8.94341 numMergedOcc 0
7 mol 192 unq 0 iso 0 dist 8.86627 8.61606 7.36571 9.82173 5.77035 6.62595 9.80584 4.65303 5.21088 7.93715 numMergedOcc 0
8 mol 192 unq 1 iso 0 dist 8.86627 4.97164 9.17137 9.82173 5.77035 12.1003 9.80584 4.65303 8.25609 7.93715 numMergedOcc 0
9 mol 192 unq 2 iso 0 dist 9.10569 5.41356 7.36571 9.52963 5.77035 6.62595 7.95713 4.65303 5.21088 7.93715 numMergedOcc 0
10 mol 192 unq 3 iso 0 dist 9.10569 4.87986 9.17137 9.52963 5.77035 12.1003 7.95713 4.65303 8.25609 7.93715 numMergedOcc 0
11 mol 226 unq 0 iso 0 dist 7.54614 12.983 8.74399 10.2945 8.31266 5.27153 17.2529 9.96567 9.03261 12.6825 numMergedOcc 0
12 mol 258 unq 0 iso 0 dist 9.46746 10.7968 5.53369 9.21014 9.81589 8.86983 15.4586 6.30651 8.17026 15.1089 numMergedOcc 0
13 mol 258 unq 1 iso 0 dist 9.46746 12.9568 8.57274 9.21014 9.81589 15.1125 15.4586 6.30651 8.43002 15.1089 numMergedOcc 0
14 mol 258 unq 2 iso 0 dist 7.31698 4.91726 5.53369 4.58093 9.81589 8.86983 12.2635 6.30651 8.17026 15.1089 numMergedOcc 0
15 mol 258 unq 3 iso 0 dist 7.31698 10.693 8.57274 4.58093 9.81589 15.1125 12.2635 6.30651 8.43002 15.1089 numMergedOcc 0
16 mol 285 unq 0 iso 0 dist 5.76796 8.7778 6.32984 9.11313 5.49829 5.76392 8.12306 6.37482 7.38536 10.6626 numMergedOcc 0
17 mol 285 unq 1 iso 0 dist 5.76796 8.7778 6.32984 6.01574 6.24134 4.4744 8.12306 6.37482 7.38536 5.09181 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 6.76192 8.37461 6.96774 5.64662 7.19568 3.85958 9.39409 5.66584 7.3388 9.27722 numMergedOcc 0
19 mol 287 unq 1 iso 0 dist 6.76192 4.03583 7.14859 5.64662 7.19568 5.93557 9.39409 5.66584 6.96248 9.27722 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 6.76192 8.37461 6.96774 5.64662 7.19568 3.85958 9.39409 5.66584 7.3388 9.27722 numMergedOcc 0
21 mol 288 unq 1 iso 0 dist 6.76192 4.03583 7.14859 5.64662 7.19568 5.93557 9.39409 5.66584 6.96248 9.27722 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 6.76192 8.37461 6.96774 5.64662 7.19568 3.85958 9.39409 5.66584 7.3388 9.27722 numMergedOcc 0
23 mol 289 unq 1 iso 0 dist 6.76192 4.03583 7.14859 5.64662 7.19568 5.93557 9.39409 5.66584 6.96248 9.27722 numMergedOcc 0
