0 mol 7 unq 0 iso 0 dist 7.32392 15.5277 9.60499 10.5949 6.7985 6.55304 11.9168 8.43473 6.02702 6.14469 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.32392 15.5277 9.60499 5.59295 6.44736 12.2869 11.9168 8.43473 6.02702 9.97009 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 13.4836 8.60554 8.52463 20.0654 14.012 9.41441 6.72323 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.20058 16.6906 8.86116 11.9824 8.44664 10.971 20.0654 14.012 9.41441 18.7793 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.20058 16.6906 8.86116 9.04355 9.44691 13.4893 20.0654 14.012 9.41441 15.7523 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 6.23095 11.5983 6.03987 12.1434 8.6653 5.82503 11.0789 5.68392 6.85556 12.0452 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 9.22151 4.96681 7.57578 6.63966 8.50222 6.08585 10.2461 9.34396 6.16347 6.25843 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 9.22151 4.96681 7.57578 6.63966 8.50222 6.08585 8.00738 6.11127 7.92503 11.4912 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 6.22122 4.96681 7.17969 6.63966 7.55264 6.08585 10.2461 10.8498 6.16347 6.25843 numMergedOcc 0
9 mol 25 unq 4 iso 0 dist 6.22122 4.96681 7.17969 6.63966 7.55264 6.08585 8.00738 5.30154 7.92503 11.4912 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 11.0132 6.65501 4.4057 13.251 7.06961 6.7117 6.88901 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 8.05602 12.0339 6.10456 11.0132 6.65501 9.67482 13.251 7.06961 4.47349 6.88901 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 5.48646 7.38135 11.2312 15.5006 12.2861 8.30845 17.21 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 5.48646 7.38135 11.2312 20.027 15.5385 8.76378 18.3027 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 9.56324 16.8752 7.47343 11.0196 7.38135 11.2312 21.1917 12.2861 8.30845 17.21 numMergedOcc 0
15 mol 100 unq 3 iso 0 dist 9.56324 16.8752 7.47343 11.0196 7.38135 11.2312 24.0706 15.5385 8.76378 18.3027 numMergedOcc 0
16 mol 100 unq 4 iso 0 dist 5.70279 5.92158 7.47343 10.838 8.30845 12.2861 12.1601 11.2312 7.38135 17.21 numMergedOcc 0
17 mol 100 unq 5 iso 0 dist 5.70279 5.92158 7.47343 11.4018 8.76378 15.5385 12.1601 11.2312 7.38135 18.3027 numMergedOcc 0
18 mol 129 unq 0 iso 0 dist 6.23966 6.65856 5.83384 6.47522 6.28565 4.55551 15.008 10.7293 9.36851 9.73158 numMergedOcc 0
19 mol 129 unq 1 iso 0 dist 6.23966 6.65856 5.83384 6.47522 6.28565 4.55551 11.0726 7.29399 4.97175 7.59327 numMergedOcc 0
20 mol 129 unq 2 iso 0 dist 6.23966 6.65856 5.83384 5.85167 7.58957 10.5488 15.008 10.7293 9.36851 16.1714 numMergedOcc 0
21 mol 129 unq 3 iso 0 dist 6.23966 6.65856 5.83384 5.85167 7.58957 10.5488 11.0726 7.29399 4.97175 13.8117 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 8.99949 11.3502 6.85062 10.5805 8.70296 14.2045 20.1653 13.7237 9.90168 18.6956 numMergedOcc 0
23 mol 131 unq 1 iso 0 dist 8.99949 11.3502 6.85062 8.98062 9.25558 5.09131 20.1653 13.7237 9.90168 13.2952 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 5.57904 7.41837 6.54501 12.4426 7.80532 7.41674 9.95528 5.71679 7.69991 6.40575 numMergedOcc 0
25 mol 134 unq 1 iso 0 dist 5.57904 6.50005 6.49416 12.4426 7.80532 9.87376 9.95528 5.71679 6.23142 6.40575 numMergedOcc 0
26 mol 156 unq 0 iso 0 dist 9.19499 5.66289 7.44554 5.02458 9.44367 5.4555 10.6749 5.71511 9.4013 8.37434 numMergedOcc 0
27 mol 156 unq 1 iso 0 dist 9.19499 5.66289 7.44554 15.8724 9.47433 11.9952 10.6749 5.71511 9.4013 14.1424 numMergedOcc 0
28 mol 156 unq 2 iso 0 dist 7.11647 5.66289 8.94056 5.02458 7.90267 5.4555 10.6749 6.13574 9.4013 8.37434 numMergedOcc 0
29 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 6.56225 6.2479 6.6251 9.99409 8.91338 8.90963 12.1629 numMergedOcc 0
30 mol 181 unq 1 iso 0 dist 8.90247 14.0828 8.03334 6.56225 6.2479 7.81713 11.3392 4.43096 6.46704 7.32087 numMergedOcc 0
31 mol 181 unq 2 iso 0 dist 8.90247 14.0828 8.03334 6.56225 6.2479 7.81713 13.656 8.04639 6.59025 8.86197 numMergedOcc 0
32 mol 205 unq 0 iso 0 dist 6.15806 10.6362 7.26832 5.07333 5.44002 10.3603 16.5371 12.4957 6.03688 15.3509 numMergedOcc 0
33 mol 231 unq 0 iso 0 dist 8.91036 10.613 7.37839 9.83598 6.98875 6.37275 10.7108 9.0443 7.79066 12.7246 numMergedOcc 0
34 mol 232 unq 0 iso 0 dist 9.95045 12.5761 8.27212 4.95971 9.05071 8.80479 11.8822 4.9377 9.40808 9.8664 numMergedOcc 0
