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 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 8.4674 4.51865 5.80928 8.40416 9.74255 7.08342 4.64838 6.41575 6.41423 9.95212 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.4674 4.54938 7.67038 6.41575 4.64838 4.97119 9.74255 8.40416 7.75618 9.95212 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 8.4674 7.82074 10.3915 6.41575 4.64838 6.01808 9.74255 8.40416 12.3215 9.95212 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 4.54938 7.20519 7.34551 7.75618 9.74255 4.96411 4.97119 6.41575 10.741 9.95212 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 4.54938 6.864 5.80928 7.75618 9.74255 7.08342 4.97119 6.41575 6.41423 9.95212 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 4.54938 8.4674 7.67038 6.41575 4.97119 4.64838 9.74255 7.75618 8.40416 9.95212 numMergedOcc 0
7 mol 19 unq 6 iso 0 dist 4.54938 7.82074 5.03957 6.41575 4.97119 6.01808 9.74255 7.75618 12.3215 9.95212 numMergedOcc 0
8 mol 19 unq 7 iso 0 dist 4.51865 8.4674 5.80928 8.40416 7.08342 9.74255 4.64838 6.41423 6.41575 9.95212 numMergedOcc 0
9 mol 19 unq 8 iso 0 dist 4.51865 6.864 7.67038 6.41423 4.64838 4.97119 7.08342 8.40416 7.75618 9.95212 numMergedOcc 0
10 mol 19 unq 9 iso 0 dist 6.864 7.20519 7.07775 7.75618 7.08342 4.96411 4.97119 6.41423 10.741 9.95212 numMergedOcc 0
11 mol 19 unq 10 iso 0 dist 6.864 4.54938 5.80928 7.75618 7.08342 9.74255 4.97119 6.41423 6.41575 9.95212 numMergedOcc 0
12 mol 19 unq 11 iso 0 dist 6.864 4.51865 7.67038 6.41423 4.97119 4.64838 7.08342 7.75618 8.40416 9.95212 numMergedOcc 0
13 mol 24 unq 0 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 4.32034 7.33768 12.9284 8.00171 numMergedOcc 0
14 mol 24 unq 1 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 8.67951 9.01567 13.4393 4.2121 numMergedOcc 0
15 mol 24 unq 2 iso 0 dist 6.86014 8.86116 10.0952 9.41441 6.66749 14.012 8.52463 7.29868 8.60554 6.72323 numMergedOcc 0
16 mol 24 unq 3 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 14.012 9.41441 15.392 6.72323 numMergedOcc 0
17 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 numMergedOcc 0
18 mol 24 unq 5 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 12.176 6.73939 18.673 6.72323 numMergedOcc 0
19 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 numMergedOcc 0
20 mol 25 unq 1 iso 0 dist 7.17969 7.57578 4.33106 6.16347 10.8498 9.34396 6.08585 7.55264 8.50222 6.25843 numMergedOcc 0
21 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 numMergedOcc 0
22 mol 98 unq 1 iso 0 dist 5.08437 6.10456 8.40073 6.65501 4.4057 9.67482 7.06961 6.7117 4.47349 6.88901 numMergedOcc 0
23 mol 98 unq 2 iso 0 dist 6.10456 5.08437 8.40073 6.65501 9.67482 4.4057 7.06961 4.47349 6.7117 6.88901 numMergedOcc 0
24 mol 98 unq 3 iso 0 dist 6.10456 6.48948 9.42358 6.65501 9.67482 7.42446 7.06961 4.47349 9.42961 6.88901 numMergedOcc 0
25 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 numMergedOcc 0
26 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 numMergedOcc 0
27 mol 129 unq 0 iso 0 dist 5.83384 9.61051 9.05135 6.28565 4.55551 6.30169 10.7293 9.36851 16.0242 9.73158 numMergedOcc 0
28 mol 129 unq 1 iso 0 dist 5.83384 9.61051 9.05135 6.28565 4.55551 6.30169 7.29399 4.97175 13.4182 7.59327 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 9.89303 6.54501 5.79898 7.69991 4.60632 5.71679 7.41674 5.83771 7.80532 6.40575 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 6.54501 6.49416 5.00526 7.80532 7.41674 9.87376 5.71679 7.69991 6.23142 6.40575 numMergedOcc 0
31 mol 134 unq 2 iso 0 dist 6.54501 9.89303 5.79898 7.69991 5.71679 4.60632 7.41674 7.80532 5.83771 6.40575 numMergedOcc 0
32 mol 134 unq 3 iso 0 dist 6.49416 6.54501 5.00526 7.80532 9.87376 7.41674 5.71679 6.23142 7.69991 6.40575 numMergedOcc 0
33 mol 134 unq 4 iso 0 dist 6.49416 8.94367 8.80819 6.23142 5.71679 4.57832 9.87376 7.80532 10.5252 6.40575 numMergedOcc 0
34 mol 134 unq 5 iso 0 dist 6.49416 6.37586 5.00817 6.23142 5.71679 5.29786 9.87376 7.80532 10.7586 6.40575 numMergedOcc 0
35 mol 156 unq 0 iso 0 dist 7.44554 8.94056 5.56175 9.4013 5.71511 6.13574 5.4555 9.44367 7.90267 8.37434 numMergedOcc 0
36 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 numMergedOcc 0
37 mol 156 unq 2 iso 0 dist 8.94056 7.44554 5.56175 9.4013 6.13574 5.71511 5.4555 7.90267 9.44367 8.37434 numMergedOcc 0
38 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 numMergedOcc 0
39 mol 156 unq 4 iso 0 dist 8.94056 7.66148 10.1658 7.90267 5.4555 6.03934 6.13574 9.4013 11.1147 8.37434 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 8.03334 9.1374 13.2049 6.2479 7.81713 6.6251 4.43096 6.46704 12.4878 7.32087 numMergedOcc 0
41 mol 181 unq 1 iso 0 dist 8.03334 9.1374 13.2049 6.2479 7.81713 6.6251 8.04639 6.59025 10.6908 8.86197 numMergedOcc 0
42 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 numMergedOcc 0
