0 mol 59 unq 0 iso 0 dist 7.7978 3.60121 9.55751 6.8958 7.17396 5.85228 10.3954 6.05545 10.7234 9.21998 numMergedOcc 0
1 mol 59 unq 0 iso 1 dist 9.55751 3.60121 7.7978 5.85228 7.17396 6.8958 10.7234 6.05545 10.3954 9.21998 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 7.52103 8.61908 8.46556 6.16737 6.72123 4.90701 9.22002 6.86346 11.0419 6.65721 numMergedOcc 0
3 mol 61 unq 0 iso 1 dist 8.46556 8.61908 7.52103 4.90701 6.72123 6.16737 11.0419 6.86346 9.22002 6.65721 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 9.72689 14.8895 7.74197 13.7794 9.36773 4.0486 11.4004 5.57085 7.86537 8.31336 numMergedOcc 0
5 mol 88 unq 0 iso 1 dist 7.74197 14.8895 9.72689 4.0486 9.36773 13.7794 7.86537 5.57085 11.4004 8.31336 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 4.98864 5.11161 7.95871 6.59772 6.11741 4.86477 12.6493 8.02349 13.7044 9.33865 numMergedOcc 0
7 mol 115 unq 0 iso 1 dist 7.95871 5.11161 4.98864 4.86477 6.11741 6.59772 13.7044 8.02349 12.6493 9.33865 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 4.98864 5.11161 7.95871 10.9437 7.88312 12.0354 14.1021 11.5723 17.0624 7.30858 numMergedOcc 0
9 mol 115 unq 1 iso 1 dist 7.95871 5.11161 4.98864 12.0354 7.88312 10.9437 17.0624 11.5723 14.1021 7.30858 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 4.98864 5.11161 7.95871 10.9437 7.88312 12.0354 12.6493 8.02349 13.7044 5.83991 numMergedOcc 0
11 mol 115 unq 2 iso 1 dist 7.95871 5.11161 4.98864 12.0354 7.88312 10.9437 13.7044 8.02349 12.6493 5.83991 numMergedOcc 0
12 mol 117 unq 0 iso 0 dist 6.90827 5.70541 8.90977 10.4485 7.90328 13.8755 18.7881 13.1058 20.7361 9.84395 numMergedOcc 0
13 mol 117 unq 0 iso 1 dist 8.90977 5.70541 6.90827 13.8755 7.90328 10.4485 20.7361 13.1058 18.7881 9.84395 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 9.92932 6.22325 9.55556 10.5108 8.94367 11.9294 9.60411 5.49782 12.1043 6.37586 numMergedOcc 0
15 mol 134 unq 0 iso 1 dist 9.55556 6.22325 9.92932 11.9294 8.94367 10.5108 12.1043 5.49782 9.60411 6.37586 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 9.92932 6.22325 9.55556 10.5108 8.94367 11.9294 14.0674 8.80819 16.0579 6.49416 numMergedOcc 0
17 mol 134 unq 1 iso 1 dist 9.55556 6.22325 9.92932 11.9294 8.94367 10.5108 16.0579 8.80819 14.0674 6.49416 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 9.92932 6.22325 9.55556 6.20443 9.86662 6.36794 9.60411 5.49782 12.1043 9.71307 numMergedOcc 0
19 mol 134 unq 2 iso 1 dist 9.55556 6.22325 9.92932 6.36794 9.86662 6.20443 12.1043 5.49782 9.60411 9.71307 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 6.752 4.20051 5.4913 4.2475 7.45763 6.8901 13.2057 11.8283 13.3164 9.61492 numMergedOcc 0
21 mol 205 unq 0 iso 1 dist 5.4913 4.20051 6.752 6.8901 7.45763 4.2475 13.3164 11.8283 13.2057 9.61492 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 9.36079 3.85697 7.42904 13.6173 7.7366 9.96254 14.4684 5.63422 12.7047 9.774 numMergedOcc 0
23 mol 206 unq 0 iso 1 dist 7.42904 3.85697 9.36079 9.96254 7.7366 13.6173 12.7047 5.63422 14.4684 9.774 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 5.66569 5.26871 6.11137 11.2013 9.99038 15.1664 12.3675 9.90963 14.8917 8.03456 numMergedOcc 0
25 mol 236 unq 0 iso 1 dist 6.11137 5.26871 5.66569 15.1664 9.99038 11.2013 14.8917 9.90963 12.3675 8.03456 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 5.66569 5.26871 6.11137 11.2013 9.99038 15.1664 11.0771 11.3368 15.2525 6.84306 numMergedOcc 0
27 mol 236 unq 1 iso 1 dist 6.11137 5.26871 5.66569 15.1664 9.99038 11.2013 15.2525 11.3368 11.0771 6.84306 numMergedOcc 0
28 mol 236 unq 2 iso 0 dist 5.66569 5.26871 6.11137 11.2013 9.99038 15.1664 15.7385 11.1557 17.0539 9.78037 numMergedOcc 0
29 mol 236 unq 2 iso 1 dist 6.11137 5.26871 5.66569 15.1664 9.99038 11.2013 17.0539 11.1557 15.7385 9.78037 numMergedOcc 0
30 mol 236 unq 3 iso 0 dist 5.66569 5.26871 6.11137 11.2013 9.99038 15.1664 13.3367 10.7497 15.4718 8.35971 numMergedOcc 0
31 mol 236 unq 3 iso 1 dist 6.11137 5.26871 5.66569 15.1664 9.99038 11.2013 15.4718 10.7497 13.3367 8.35971 numMergedOcc 0
32 mol 236 unq 4 iso 0 dist 5.66569 5.26871 6.11137 4.15973 6.27581 9.01197 12.3675 9.90963 14.8917 9.81562 numMergedOcc 0
33 mol 236 unq 4 iso 1 dist 6.11137 5.26871 5.66569 9.01197 6.27581 4.15973 14.8917 9.90963 12.3675 9.81562 numMergedOcc 0
34 mol 236 unq 5 iso 0 dist 5.66569 5.26871 6.11137 4.15973 6.27581 9.01197 11.0771 11.3368 15.2525 7.68742 numMergedOcc 0
35 mol 236 unq 5 iso 1 dist 6.11137 5.26871 5.66569 9.01197 6.27581 4.15973 15.2525 11.3368 11.0771 7.68742 numMergedOcc 0
36 mol 238 unq 0 iso 0 dist 9.66555 5.15729 8.67205 12.2428 6.22714 8.66185 11.6545 5.34096 11.1363 7.31233 numMergedOcc 0
37 mol 238 unq 0 iso 1 dist 8.67205 5.15729 9.66555 8.66185 6.22714 12.2428 11.1363 5.34096 11.6545 7.31233 numMergedOcc 0
