0 mol 12 unq 0 iso 0 dist 6.6051 10.1259 8.15864 11.1357 8.18139 5.03514 numMergedOcc 0
1 mol 12 unq 0 iso 1 dist 8.15864 10.1259 6.6051 5.03514 8.18139 11.1357 numMergedOcc 0
2 mol 29 unq 0 iso 0 dist 5.36278 7.34641 7.50258 5.3571 9.78134 12.1835 numMergedOcc 0
3 mol 29 unq 0 iso 1 dist 7.50258 7.34641 5.36278 12.1835 9.78134 5.3571 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.84944 12.0149 7.21995 7.20713 6.57633 6.53557 numMergedOcc 0
5 mol 43 unq 0 iso 1 dist 7.21995 12.0149 8.84944 6.53557 6.57633 7.20713 numMergedOcc 0
6 mol 63 unq 0 iso 0 dist 6.49343 12.2413 9.78739 3.97936 9.06612 11.1699 numMergedOcc 0
7 mol 63 unq 0 iso 1 dist 9.78739 12.2413 6.49343 11.1699 9.06612 3.97936 numMergedOcc 0
8 mol 63 unq 1 iso 0 dist 6.49343 12.2413 9.78739 10.507 6.04797 5.32214 numMergedOcc 0
9 mol 63 unq 1 iso 1 dist 9.78739 12.2413 6.49343 5.32214 6.04797 10.507 numMergedOcc 0
10 mol 63 unq 2 iso 0 dist 6.49343 12.2413 9.78739 15.191 8.88058 11.3685 numMergedOcc 0
11 mol 63 unq 2 iso 1 dist 9.78739 12.2413 6.49343 11.3685 8.88058 15.191 numMergedOcc 0
12 mol 64 unq 0 iso 0 dist 5.66803 12.1186 8.85416 7.91421 7.11238 5.48409 numMergedOcc 0
13 mol 64 unq 0 iso 1 dist 8.85416 12.1186 5.66803 5.48409 7.11238 7.91421 numMergedOcc 0
14 mol 79 unq 0 iso 0 dist 8.61089 12.6473 8.64686 6.12551 7.82966 7.18389 numMergedOcc 0
15 mol 79 unq 0 iso 1 dist 8.64686 12.6473 8.61089 7.18389 7.82966 6.12551 numMergedOcc 0
16 mol 79 unq 1 iso 0 dist 8.61089 12.6473 8.64686 7.19348 8.26763 11.5374 numMergedOcc 0
17 mol 79 unq 1 iso 1 dist 8.64686 12.6473 8.61089 11.5374 8.26763 7.19348 numMergedOcc 0
18 mol 79 unq 2 iso 0 dist 8.61089 12.6473 8.64686 9.62824 6.30814 5.21981 numMergedOcc 0
19 mol 79 unq 2 iso 1 dist 8.64686 12.6473 8.61089 5.21981 6.30814 9.62824 numMergedOcc 0
20 mol 79 unq 3 iso 0 dist 8.61089 12.6473 8.64686 9.96442 7.318 8.12985 numMergedOcc 0
21 mol 79 unq 3 iso 1 dist 8.64686 12.6473 8.61089 8.12985 7.318 9.96442 numMergedOcc 0
22 mol 105 unq 0 iso 0 dist 6.11833 4.40288 7.12201 11.7553 9.15226 8.79469 numMergedOcc 0
23 mol 105 unq 0 iso 1 dist 7.12201 4.40288 6.11833 8.79469 9.15226 11.7553 numMergedOcc 0
24 mol 114 unq 0 iso 0 dist 6.54778 8.36743 8.57909 5.33859 8.40389 10.2125 numMergedOcc 0
25 mol 114 unq 0 iso 1 dist 8.57909 8.36743 6.54778 10.2125 8.40389 5.33859 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 9.65031 11.2441 8.51844 7.28039 7.94976 5.51498 numMergedOcc 0
27 mol 152 unq 0 iso 1 dist 8.51844 11.2441 9.65031 5.51498 7.94976 7.28039 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 7.96226 10.9623 8.82663 11.5205 7.92513 4.22586 numMergedOcc 0
29 mol 224 unq 0 iso 1 dist 8.82663 10.9623 7.96226 4.22586 7.92513 11.5205 numMergedOcc 0
30 mol 236 unq 0 iso 0 dist 8.63249 15.386 7.74348 15.0178 8.75172 7.69003 numMergedOcc 0
31 mol 236 unq 0 iso 1 dist 7.74348 15.386 8.63249 7.69003 8.75172 15.0178 numMergedOcc 0
32 mol 243 unq 0 iso 0 dist 4.64178 10.9243 9.16988 6.26525 8.89434 16.1398 numMergedOcc 0
33 mol 243 unq 0 iso 1 dist 9.16988 10.9243 4.64178 16.1398 8.89434 6.26525 numMergedOcc 0
34 mol 277 unq 0 iso 0 dist 6.66936 11.3688 8.15119 5.38166 6.42951 6.65084 numMergedOcc 0
35 mol 277 unq 0 iso 1 dist 8.15119 11.3688 6.66936 6.65084 6.42951 5.38166 numMergedOcc 0
