0 mol 11 unq 0 iso 0 dist 9.89482 5.06605 8.07112 9.98578 4.1001 6.42494 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.98578 9.9191 9.42442 17.2187 9.68972 9.68172 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 9.98578 5.06605 6.42494 9.89482 4.1001 8.07112 numMergedOcc 0
3 mol 11 unq 3 iso 0 dist 8.08367 7.37817 9.42442 12.1588 9.68972 9.68172 numMergedOcc 0
4 mol 11 unq 4 iso 0 dist 8.08367 4.29948 6.42494 11.136 4.1001 8.07112 numMergedOcc 0
5 mol 11 unq 5 iso 0 dist 8.15498 5.04354 9.42442 10.0361 8.68636 6.42494 numMergedOcc 0
6 mol 11 unq 6 iso 0 dist 9.13662 8.47973 9.42442 9.14139 8.68636 6.42494 numMergedOcc 0
7 mol 11 unq 7 iso 0 dist 6.77845 3.91709 9.42442 6.91808 8.68636 6.42494 numMergedOcc 0
8 mol 11 unq 8 iso 0 dist 8.48302 4.1995 8.07112 7.19061 4.1001 6.42494 numMergedOcc 0
9 mol 11 unq 9 iso 0 dist 7.19061 5.54126 9.42442 12.7217 9.68972 9.68172 numMergedOcc 0
10 mol 11 unq 10 iso 0 dist 7.19061 4.1995 6.42494 8.48302 4.1001 8.07112 numMergedOcc 0
11 mol 11 unq 11 iso 0 dist 9.14139 8.47973 6.42494 9.13662 8.68636 9.42442 numMergedOcc 0
12 mol 11 unq 12 iso 0 dist 6.91808 3.91709 6.42494 6.77845 8.68636 9.42442 numMergedOcc 0
13 mol 78 unq 0 iso 0 dist 8.61468 11.1106 9.84346 6.27186 3.93133 9.46472 numMergedOcc 0
14 mol 78 unq 1 iso 0 dist 6.27186 11.1106 9.46472 8.61468 3.93133 9.84346 numMergedOcc 0
15 mol 176 unq 0 iso 0 dist 9.60497 5.84577 6.59532 11.3478 6.6147 7.4839 numMergedOcc 0
16 mol 176 unq 1 iso 0 dist 9.60497 5.84577 6.59532 10.7588 4.22281 9.70481 numMergedOcc 0
17 mol 176 unq 2 iso 0 dist 9.02576 14.0428 7.4839 17.545 10.4403 9.70481 numMergedOcc 0
18 mol 176 unq 3 iso 0 dist 9.02576 14.0428 7.4839 14.6804 6.6147 6.59532 numMergedOcc 0
19 mol 176 unq 4 iso 0 dist 9.02576 9.9111 9.09742 8.11904 3.69868 9.94201 numMergedOcc 0
20 mol 176 unq 5 iso 0 dist 8.11904 9.9111 9.94201 9.02576 3.69868 9.09742 numMergedOcc 0
21 mol 180 unq 0 iso 0 dist 9.93839 8.91543 9.82462 15.7705 10.657 8.39718 numMergedOcc 0
22 mol 183 unq 0 iso 0 dist 8.53483 5.27994 8.15747 10.4514 3.75614 8.74903 numMergedOcc 0
23 mol 183 unq 1 iso 0 dist 8.53483 13.4834 5.44125 10.4514 3.75614 7.11505 numMergedOcc 0
24 mol 183 unq 2 iso 0 dist 8.53483 13.4834 5.44125 14.3216 9.96454 8.7143 numMergedOcc 0
25 mol 183 unq 3 iso 0 dist 8.58404 5.50571 8.15747 8.1126 3.75614 8.74903 numMergedOcc 0
26 mol 183 unq 4 iso 0 dist 8.58404 11.5857 5.44125 8.1126 3.75614 7.11505 numMergedOcc 0
27 mol 183 unq 5 iso 0 dist 8.58404 11.5857 5.44125 18.032 9.96454 8.7143 numMergedOcc 0
28 mol 183 unq 6 iso 0 dist 8.1126 5.50571 8.74903 8.58404 3.75614 8.15747 numMergedOcc 0
29 mol 183 unq 7 iso 0 dist 8.1126 11.5857 7.11505 8.58404 3.75614 5.44125 numMergedOcc 0
30 mol 183 unq 8 iso 0 dist 8.1126 11.5857 7.11505 18.032 12.8714 8.7143 numMergedOcc 0
31 mol 183 unq 9 iso 0 dist 8.50695 9.60638 8.7143 9.74836 9.96454 5.44125 numMergedOcc 0
32 mol 183 unq 10 iso 0 dist 8.50695 9.60638 8.7143 13.4348 12.8714 7.11505 numMergedOcc 0
33 mol 185 unq 0 iso 0 dist 6.06763 11.8032 9.56016 10.9577 9.83918 9.52252 numMergedOcc 0
34 mol 185 unq 1 iso 0 dist 6.06763 10.8076 7.92501 12.402 6.40496 8.27418 numMergedOcc 0
35 mol 243 unq 0 iso 0 dist 8.93292 4.32107 5.86679 12.5917 6.68091 8.28347 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 8.6856 9.48658 9.64278 9.98868 4.84513 6.15713 numMergedOcc 0
37 mol 258 unq 1 iso 0 dist 9.98868 9.48658 6.15713 8.6856 4.84513 9.64278 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 6.83706 11.3955 5.30455 9.46936 4.24996 7.34794 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 5.76223 11.6897 8.35169 14.3767 8.77381 7.7557 numMergedOcc 0
