0 mol 15 unq 0 iso 0 dist 8.38064 9.97507 9.03536 7.48342 4.39605 12.1303 4.29582 7.07399 11.7302 6.03257 9.88835 11.0528 16.8845 9.75966 5.89412 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.4674 7.82074 10.3915 6.41575 4.64838 6.01808 9.74255 8.40416 12.3215 9.95212 4.54938 7.67038 5.03957 4.97119 7.75618 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 4.54938 7.20519 7.34551 7.75618 9.74255 4.96411 4.97119 6.41575 10.741 9.95212 6.864 5.80928 7.07775 7.08342 6.41423 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 4.54938 7.82074 5.03957 6.41575 4.97119 6.01808 9.74255 7.75618 12.3215 9.95212 8.4674 7.67038 10.3915 4.64838 8.40416 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 6.864 7.20519 7.07775 7.75618 7.08342 4.96411 4.97119 6.41423 10.741 9.95212 4.54938 5.80928 7.34551 9.74255 6.41575 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 8.52463 7.29868 8.60554 6.72323 15.5324 15.5315 14.6259 12.176 8.4051 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 14.012 9.41441 15.392 6.72323 13.2433 11.4989 15.4364 5.11617 6.73939 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 8.86116 8.38394 6.44287 8.44664 10.971 5.30734 14.012 9.41441 15.392 18.7793 13.2433 11.4989 15.4364 17.1059 6.73939 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.86116 8.38394 6.44287 9.44691 13.4893 12.505 14.012 9.41441 15.392 15.7523 13.2433 11.4989 15.4364 10.8238 6.73939 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 8.52463 8.60554 7.29868 6.72323 15.5324 14.6259 15.5315 12.176 8.4051 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 13.4893 9.44691 15.8209 15.7523 15.5324 14.6259 15.5315 12.176 8.75662 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 12.176 6.73939 18.673 6.72323 15.5324 11.4989 19.2131 8.52463 9.41441 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 12.176 6.73939 18.673 19.0465 15.5324 11.4989 19.2131 21.8521 9.41441 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 12.176 6.73939 18.673 15.7523 15.5324 11.4989 19.2131 13.4893 9.41441 numMergedOcc 0
14 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 6.16347 9.34396 10.8498 6.08585 8.50222 7.55264 6.25843 11.9561 15.5644 16.1048 7.33728 8.87757 numMergedOcc 0
15 mol 25 unq 1 iso 0 dist 7.57578 7.17969 4.33106 7.92503 6.11127 5.30154 6.08585 8.50222 7.55264 11.4912 11.9561 15.5644 16.1048 19.1927 8.87757 numMergedOcc 0
16 mol 25 unq 2 iso 0 dist 7.17969 7.57578 4.33106 6.16347 10.8498 9.34396 6.08585 7.55264 8.50222 6.25843 11.9561 16.1048 15.5644 7.33728 8.87757 numMergedOcc 0
17 mol 25 unq 3 iso 0 dist 7.17969 7.57578 4.33106 7.92503 5.30154 6.11127 6.08585 7.55264 8.50222 11.4912 11.9561 16.1048 15.5644 19.1927 8.87757 numMergedOcc 0
18 mol 58 unq 0 iso 0 dist 6.86465 6.62496 5.30792 8.80614 10.2049 9.95364 5.78774 9.92355 5.93884 10.2007 6.35756 5.35073 4.81926 5.49591 7.68678 numMergedOcc 0
19 mol 58 unq 1 iso 0 dist 6.86465 6.35756 5.35073 8.80614 10.2049 5.49591 5.78774 9.92355 7.68678 10.2007 6.62496 5.30792 4.81926 9.95364 5.93884 numMergedOcc 0
20 mol 58 unq 2 iso 0 dist 6.62496 6.86465 5.30792 8.80614 9.95364 10.2049 5.78774 5.93884 9.92355 10.2007 6.35756 4.81926 5.35073 5.49591 7.68678 numMergedOcc 0
21 mol 58 unq 3 iso 0 dist 6.62496 6.35756 4.81926 8.80614 9.95364 5.49591 5.78774 5.93884 7.68678 10.2007 6.86465 5.30792 5.35073 10.2049 9.92355 numMergedOcc 0
22 mol 58 unq 4 iso 0 dist 6.35756 6.86465 5.35073 8.80614 5.49591 10.2049 5.78774 7.68678 9.92355 10.2007 6.62496 4.81926 5.30792 9.95364 5.93884 numMergedOcc 0
23 mol 58 unq 5 iso 0 dist 6.35756 6.62496 4.81926 8.80614 5.49591 9.95364 5.78774 7.68678 5.93884 10.2007 6.86465 5.35073 5.30792 10.2049 9.92355 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 6.65501 4.4057 7.42446 7.06961 6.7117 9.42961 6.88901 6.10456 8.40073 9.42358 9.67482 4.47349 numMergedOcc 0
25 mol 98 unq 1 iso 0 dist 5.08437 6.48948 9.51923 6.65501 4.4057 7.42446 7.06961 6.7117 9.42961 6.88901 10.1136 10.2427 13.9786 12.0974 5.65185 numMergedOcc 0
26 mol 98 unq 2 iso 0 dist 5.08437 6.10456 8.40073 6.65501 4.4057 9.67482 7.06961 6.7117 4.47349 6.88901 10.1136 10.2427 5.02887 12.0974 5.65185 numMergedOcc 0
27 mol 98 unq 3 iso 0 dist 6.10456 5.08437 8.40073 6.65501 9.67482 4.4057 7.06961 4.47349 6.7117 6.88901 10.1136 5.02887 10.2427 12.0974 5.65185 numMergedOcc 0
28 mol 98 unq 4 iso 0 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 7.06961 4.47349 9.42961 6.88901 5.08437 8.40073 9.51923 4.4057 6.7117 numMergedOcc 0
29 mol 98 unq 5 iso 0 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 7.06961 4.47349 9.42961 6.88901 10.1136 5.02887 13.9786 12.0974 5.65185 numMergedOcc 0
30 mol 100 unq 0 iso 0 dist 7.17106 9.60661 11.5403 7.01812 8.4128 5.80144 10.6848 7.10378 14.8081 9.5057 10.1489 10.8586 10.8375 5.42531 7.80975 numMergedOcc 0
31 mol 100 unq 1 iso 0 dist 7.17106 9.35224 8.87654 7.01812 8.4128 10.0456 10.6848 7.10378 15.2289 9.5057 10.1489 10.8586 15.1999 5.42531 7.80975 numMergedOcc 0
32 mol 100 unq 2 iso 0 dist 7.47343 6.45675 5.33144 7.38135 11.2312 7.11701 12.2861 8.30845 10.6086 17.21 12.0662 5.88134 7.1752 14.2012 7.01812 numMergedOcc 0
33 mol 100 unq 3 iso 0 dist 7.47343 8.86688 10.1407 7.38135 11.2312 7.79768 12.2861 8.30845 18.1777 17.21 12.0662 5.88134 14.8365 14.2012 7.01812 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 6.54501 6.49416 5.00526 7.80532 7.41674 9.87376 5.71679 7.69991 6.23142 6.40575 12.5075 11.3271 6.81259 14.9876 9.94764 numMergedOcc 0
35 mol 134 unq 1 iso 0 dist 6.49416 6.54501 5.00526 7.80532 9.87376 7.41674 5.71679 6.23142 7.69991 6.40575 12.5075 6.81259 11.3271 14.9876 9.94764 numMergedOcc 0
36 mol 134 unq 2 iso 0 dist 6.49416 8.94367 8.80819 6.23142 5.71679 4.57832 9.87376 7.80532 10.5252 6.40575 9.93925 5.79898 6.86927 4.60632 5.83771 numMergedOcc 0
37 mol 134 unq 3 iso 0 dist 6.49416 6.37586 5.00817 6.23142 5.71679 5.29786 9.87376 7.80532 10.7586 6.40575 9.93925 5.79898 7.11631 4.60632 5.83771 numMergedOcc 0
38 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 9.4013 5.71511 6.13574 11.9952 9.47433 14.7758 14.1424 10.4649 5.76755 11.1775 8.63358 6.30021 numMergedOcc 0
39 mol 156 unq 1 iso 0 dist 7.44554 9.83699 8.38403 9.4013 5.71511 5.80008 5.4555 9.44367 10.3379 8.37434 8.94056 5.56175 11.2719 6.13574 7.90267 numMergedOcc 0
40 mol 156 unq 2 iso 0 dist 7.44554 9.83699 8.38403 9.4013 5.71511 5.80008 11.9952 9.47433 13.0431 14.1424 10.4649 5.76755 7.60354 8.63358 6.30021 numMergedOcc 0
41 mol 156 unq 3 iso 0 dist 8.94056 9.83699 11.2719 9.4013 6.13574 5.80008 5.4555 7.90267 10.3379 8.37434 7.44554 5.56175 8.38403 5.71511 9.44367 numMergedOcc 0
42 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 8.90963 8.91338 9.81073 6.6251 6.2479 7.99195 12.1629 9.94371 6.01247 12.6324 11.85 6.22122 numMergedOcc 0
43 mol 181 unq 1 iso 0 dist 9.1374 9.15386 12.1628 8.90963 8.91338 9.34211 6.6251 6.2479 12.8533 12.1629 9.94371 6.01247 16.5106 11.85 6.22122 numMergedOcc 0
44 mol 181 unq 2 iso 0 dist 9.1374 9.15386 12.1628 8.90963 8.91338 9.34211 6.6251 6.2479 12.8533 12.1629 5.98885 8.88798 5.16002 9.81073 7.99195 numMergedOcc 0
45 mol 181 unq 3 iso 0 dist 5.98885 9.1374 8.88798 8.90963 9.81073 8.91338 6.6251 7.99195 6.2479 12.1629 9.94371 12.6324 6.01247 11.85 6.22122 numMergedOcc 0
46 mol 181 unq 4 iso 0 dist 5.98885 9.15386 5.16002 8.90963 9.81073 9.34211 6.6251 7.99195 12.8533 12.1629 9.1374 8.88798 12.1628 8.91338 6.2479 numMergedOcc 0
47 mol 181 unq 5 iso 0 dist 5.98885 9.15386 5.16002 8.90963 9.81073 9.34211 6.6251 7.99195 12.8533 12.1629 9.94371 12.6324 16.5106 11.85 6.22122 numMergedOcc 0
48 mol 274 unq 0 iso 0 dist 7.56915 8.49997 6.33073 9.85289 6.20558 11.4459 5.29529 8.52587 11.6126 6.88827 11.3168 11.3308 14.9562 6.16703 6.39866 numMergedOcc 0
