0 mol 24 unq 0 iso 0 dist 6.11056 8.94703 4.79736 10.4744 8.86116 12.3058 14.4535 10.0952 13.0134 6.86014 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.88413 8.27137 11.4148 5.59268 7.17969 4.79873 10.5993 4.33106 10.2864 7.57578 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.87281 8.27137 14.1577 6.17631 7.31767 11.4732 7.63928 4.51512 14.321 6.03987 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 7.63928 8.27137 14.321 6.17631 6.03987 11.4732 9.87281 4.51512 14.1577 7.31767 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.36193 8.85156 4.23671 5.40367 6.62496 10.2845 9.01612 5.30792 6.57389 6.86465 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 6.36193 8.85156 4.23671 5.40367 6.62496 10.2845 4.88613 4.81926 5.6823 6.35756 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 4.88613 8.85156 5.6823 5.40367 6.35756 10.2845 9.01612 5.35073 6.57389 6.86465 numMergedOcc 0
7 mol 58 unq 3 iso 0 dist 4.88613 8.85156 5.6823 5.40367 6.35756 10.2845 6.36193 4.81926 4.23671 6.62496 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 6.65344 8.35477 3.98306 13.1729 7.71095 10.5771 19.1673 12.5396 12.6368 8.84665 numMergedOcc 0
9 mol 59 unq 1 iso 0 dist 6.65344 8.35477 3.98306 13.1729 7.71095 10.5771 14.3301 8.19458 7.74388 8.25513 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 9.65047 9.70292 14.2178 5.69671 8.03644 8.57395 12.5791 16.6055 8.28518 9.03572 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 9.65047 9.70292 14.2178 5.69671 8.03644 8.57395 13.9545 13.8105 9.22202 8.83255 numMergedOcc 0
12 mol 95 unq 2 iso 0 dist 9.65047 9.59704 8.78079 5.69671 8.03644 9.85409 12.5791 16.6055 15.917 9.03572 numMergedOcc 0
13 mol 95 unq 3 iso 0 dist 9.65047 9.59704 8.78079 5.69671 8.03644 9.85409 13.9545 13.8105 13.7484 8.83255 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 6.75472 5.83991 10.5599 12.5189 7.69052 11.1447 9.33865 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 5.02717 6.31773 5.03039 11.0268 7.88312 11.8378 12.5189 7.69052 11.1447 6.11741 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 7.95871 9.79864 9.62029 4.86477 6.11741 9.13312 13.7044 8.02349 11.6284 9.33865 numMergedOcc 0
17 mol 115 unq 3 iso 0 dist 7.95871 9.79864 9.62029 12.0354 7.88312 14.3246 17.0624 11.5723 20.2259 7.30858 numMergedOcc 0
18 mol 115 unq 4 iso 0 dist 7.95871 9.79864 9.62029 12.0354 7.88312 14.3246 13.7044 8.02349 11.6284 5.83991 numMergedOcc 0
19 mol 117 unq 0 iso 0 dist 6.90827 6.78655 3.55765 10.4485 7.90328 10.4223 18.7881 13.1058 15.7476 9.84395 numMergedOcc 0
20 mol 117 unq 1 iso 0 dist 8.90977 9.42037 3.55765 13.8755 7.90328 10.4223 20.7361 13.1058 15.7476 9.84395 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 9.55556 8.78303 7.41373 11.9294 8.94367 9.33094 12.1043 5.49782 10.8635 6.37586 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 9.55556 8.78303 7.41373 11.9294 8.94367 9.33094 16.0579 8.80819 12.3479 6.49416 numMergedOcc 0
23 mol 134 unq 2 iso 0 dist 9.55556 8.78303 7.41373 6.36794 9.86662 8.69531 12.1043 5.49782 10.8635 9.71307 numMergedOcc 0
24 mol 152 unq 0 iso 0 dist 8.07256 9.81212 7.68889 11.1874 6.70283 12.3868 13.1529 5.42328 10.6097 5.87555 numMergedOcc 0
25 mol 152 unq 1 iso 0 dist 8.07256 9.81212 7.68889 11.1874 6.70283 12.3868 12.6103 6.4896 6.38352 8.67331 numMergedOcc 0
26 mol 152 unq 2 iso 0 dist 8.07256 9.81212 7.68889 8.36099 7.16148 9.37904 13.1529 5.42328 10.6097 8.87437 numMergedOcc 0
27 mol 152 unq 3 iso 0 dist 8.07256 9.81212 7.68889 8.36099 7.16148 9.37904 12.6103 6.4896 6.38352 8.05741 numMergedOcc 0
28 mol 205 unq 0 iso 0 dist 6.752 6.41148 8.67921 4.2475 7.45763 6.49765 13.2057 11.8283 10.6504 9.61492 numMergedOcc 0
29 mol 205 unq 1 iso 0 dist 5.4913 5.06713 8.67921 6.8901 7.45763 6.49765 13.3164 11.8283 10.6504 9.61492 numMergedOcc 0
30 mol 205 unq 2 iso 0 dist 5.4913 8.69512 12.8695 6.8901 7.45763 14.2129 13.3164 11.8283 17.3735 9.61492 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 7.85877 8.86886 8.34852 4.82768 7.21333 12.0171 10.8522 13.3522 16.815 8.01589 numMergedOcc 0
32 mol 222 unq 1 iso 0 dist 7.85877 8.86886 8.34852 4.82768 7.21333 12.0171 10.0664 5.24516 11.1369 7.7699 numMergedOcc 0
33 mol 224 unq 0 iso 0 dist 8.39002 6.32334 7.05804 5.72088 6.57273 8.79428 8.46129 5.0744 5.76843 6.60589 numMergedOcc 0
34 mol 224 unq 1 iso 0 dist 8.39002 6.32334 7.05804 6.51315 5.78342 6.8692 8.46129 5.0744 5.76843 9.16166 numMergedOcc 0
35 mol 224 unq 2 iso 0 dist 8.39002 6.32334 7.05804 6.51315 5.78342 6.8692 9.2053 5.60236 4.54188 5.81334 numMergedOcc 0
36 mol 224 unq 3 iso 0 dist 8.46129 6.32334 5.76843 5.72088 6.60589 8.79428 8.39002 5.0744 7.05804 6.57273 numMergedOcc 0
37 mol 224 unq 4 iso 0 dist 8.46129 6.32334 5.76843 6.51315 9.16166 6.8692 8.39002 5.0744 7.05804 5.78342 numMergedOcc 0
38 mol 224 unq 5 iso 0 dist 8.46129 6.32334 5.76843 6.51315 9.16166 6.8692 9.2053 6.91102 4.54188 5.81334 numMergedOcc 0
39 mol 224 unq 6 iso 0 dist 9.2053 6.32334 4.54188 6.51315 5.81334 6.8692 8.39002 5.60236 7.05804 5.78342 numMergedOcc 0
40 mol 224 unq 7 iso 0 dist 9.2053 6.32334 4.54188 6.51315 5.81334 6.8692 8.46129 6.91102 5.76843 9.16166 numMergedOcc 0
41 mol 227 unq 0 iso 0 dist 9.07872 7.90991 13.2135 9.9474 7.09863 16.9681 11.3366 4.39704 15.3826 7.22101 numMergedOcc 0
42 mol 236 unq 0 iso 0 dist 6.11137 9.94117 10.5937 15.1664 9.99038 19.0739 14.8917 9.90963 14.2884 8.03456 numMergedOcc 0
43 mol 236 unq 1 iso 0 dist 6.11137 9.94117 10.5937 15.1664 9.99038 19.0739 15.2525 11.3368 17.3459 6.84306 numMergedOcc 0
44 mol 236 unq 2 iso 0 dist 6.11137 9.94117 10.5937 15.1664 9.99038 19.0739 17.0539 11.1557 15.9401 9.78037 numMergedOcc 0
45 mol 236 unq 3 iso 0 dist 6.11137 9.94117 10.5937 15.1664 9.99038 19.0739 15.4718 10.7497 20.77 8.35971 numMergedOcc 0
46 mol 236 unq 4 iso 0 dist 6.11137 9.94117 10.5937 9.01197 6.27581 15.106 14.8917 9.90963 14.2884 9.81562 numMergedOcc 0
47 mol 236 unq 5 iso 0 dist 6.11137 9.94117 10.5937 9.01197 6.27581 15.106 15.2525 11.3368 17.3459 7.68742 numMergedOcc 0
48 mol 238 unq 0 iso 0 dist 9.66555 6.96382 6.82305 12.2428 6.22714 10.1172 11.6545 5.34096 5.71717 7.31233 numMergedOcc 0
49 mol 274 unq 0 iso 0 dist 9.71801 7.15079 11.4471 5.9882 7.56915 11.9912 13.4994 6.33073 17.1519 8.49997 numMergedOcc 0
