0 mol 0 unq 0 iso 0 dist 7.79297 4.16512 6.91778 6.73401 9.67081 5.8463 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.20552 5.26458 5.99972 8.16305 7.78327 3.54153 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 6.49709 10.4181 5.96346 4.4067 8.68293 13.5125 numMergedOcc 0
3 mol 11 unq 1 iso 0 dist 6.49709 10.4181 5.96346 13.2938 6.84216 6.76736 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.06275 5.33298 8.95682 7.62357 9.02471 10.4863 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.90024 13.2914 8.95682 16.9091 9.02471 10.4863 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 9.43143 11.9655 9.27838 10.2533 4.86198 13.6186 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 9.96446 15.5614 8.18107 12.0126 5.42067 4.30488 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 9.96446 8.51558 5.9465 12.0126 5.42067 5.09449 numMergedOcc 0
9 mol 92 unq 2 iso 0 dist 6.70686 15.5614 9.8859 12.0126 7.36435 4.30488 numMergedOcc 0
10 mol 92 unq 3 iso 0 dist 6.70686 8.51558 6.97962 12.0126 7.36435 5.09449 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 9.83528 15.5475 6.65501 11.4714 7.92856 11.6496 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 7.54969 13.2316 6.65501 12.9689 7.92856 11.6496 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 6.71345 8.84017 6.84011 11.5242 9.93438 5.99273 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 8.47907 10.577 8.88537 12.1473 4.42563 8.90201 numMergedOcc 0
15 mol 122 unq 1 iso 0 dist 8.47907 6.9595 9.23819 12.1473 4.42563 11.3935 numMergedOcc 0
16 mol 163 unq 0 iso 0 dist 7.75045 3.98078 9.07943 11.5774 9.90947 9.82832 numMergedOcc 0
17 mol 163 unq 1 iso 0 dist 7.75045 3.98078 9.07943 10.9436 8.16252 9.10855 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 6.09874 5.06341 6.22122 14.1844 9.70481 13.4378 numMergedOcc 0
19 mol 195 unq 0 iso 0 dist 7.39185 6.35777 7.36683 4.22848 6.59544 9.10355 numMergedOcc 0
20 mol 195 unq 1 iso 0 dist 7.39185 8.75868 6.95086 4.22848 6.59544 9.70528 numMergedOcc 0
21 mol 195 unq 2 iso 0 dist 4.78641 6.31156 7.36683 4.65343 6.59544 9.10355 numMergedOcc 0
22 mol 195 unq 3 iso 0 dist 4.78641 10.4127 6.95086 4.65343 6.59544 9.70528 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 8.57514 7.35197 4.8668 13.7017 9.31158 9.43113 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 6.11505 5.68053 4.8668 13.9601 9.31158 9.43113 numMergedOcc 0
25 mol 210 unq 0 iso 0 dist 8.58471 5.06328 7.10826 8.19655 6.85824 4.73037 numMergedOcc 0
26 mol 213 unq 0 iso 0 dist 9.73691 10.1372 8.14332 6.56215 9.09354 13.1121 numMergedOcc 0
27 mol 213 unq 1 iso 0 dist 9.73691 10.1372 8.14332 9.18934 4.66576 6.78109 numMergedOcc 0
28 mol 231 unq 0 iso 0 dist 6.02527 6.46271 7.79066 11.6594 9.9868 10.5016 numMergedOcc 0
29 mol 231 unq 1 iso 0 dist 6.02527 6.46271 7.79066 7.54254 7.3268 4.02097 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 7.57253 5.70548 9.05071 11.393 8.25985 12.159 numMergedOcc 0
31 mol 232 unq 1 iso 0 dist 7.57253 5.70548 9.05071 7.05941 9.27788 8.36223 numMergedOcc 0
32 mol 235 unq 0 iso 0 dist 7.8128 12.5723 9.55668 9.83176 8.08965 6.82702 numMergedOcc 0
33 mol 237 unq 0 iso 0 dist 9.59483 14.3756 6.99315 18.1875 9.14911 5.74428 numMergedOcc 0
34 mol 237 unq 1 iso 0 dist 8.42717 8.63433 6.99315 4.38713 9.14911 5.74428 numMergedOcc 0
35 mol 239 unq 0 iso 0 dist 8.82778 15.4125 8.84636 10.7268 4.43499 5.76503 numMergedOcc 0
36 mol 240 unq 0 iso 0 dist 7.6664 5.1741 6.68687 3.99769 5.77749 7.06594 numMergedOcc 0
37 mol 274 unq 0 iso 0 dist 9.13226 8.85159 9.85289 8.82131 9.83622 5.14522 numMergedOcc 0
