0 mol 25 unq 0 iso 0 dist 8.6396 5.8503 5.04899 5.77745 6.47509 7.05196 5.23233 6.55597 4.69295 8.07318 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.6396 5.8503 5.04899 5.77745 6.47509 7.05196 6.29702 12.3944 11.6045 7.44277 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.88413 5.59268 7.17969 8.27137 11.4148 4.79873 10.1908 10.3338 5.63212 7.44277 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.38387 11.0096 8.80331 12.266 5.41726 6.6263 16.7913 10.0168 10.8828 8.34145 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.38387 11.8286 6.20293 12.266 5.41726 6.75943 16.7913 10.0168 5.07458 8.34145 numMergedOcc 0
5 mol 59 unq 0 iso 0 dist 7.7978 6.8958 7.17396 11.5355 7.31539 6.56212 12.5854 12.4823 6.08003 8.66724 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 9.55751 5.85228 7.17396 11.9689 7.31539 6.56212 10.4376 12.4823 6.08003 8.66724 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 8.3164 11.5656 8.69985 9.94704 5.00433 8.52024 8.08642 7.07971 4.69373 9.09348 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.35868 8.25001 7.30858 16.2777 15.3161 9.42082 11.8758 13.22 6.01673 7.65564 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 5.02717 6.75472 5.83991 9.5681 6.01673 6.24825 12.6105 9.42082 6.63111 7.65564 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 4.98864 6.59772 6.11741 9.47795 6.07067 6.39384 12.8905 10.0255 6.95773 7.65564 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 4.98864 10.9437 7.88312 9.47795 6.07067 9.42082 12.8905 10.0255 6.01673 7.65564 numMergedOcc 0
12 mol 115 unq 4 iso 0 dist 7.95871 4.86477 6.11741 9.29473 6.07067 6.39384 11.7277 10.0255 6.95773 7.65564 numMergedOcc 0
13 mol 115 unq 5 iso 0 dist 7.95871 12.0354 7.88312 9.29473 6.07067 9.42082 11.7277 10.0255 6.01673 7.65564 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 6.38163 10.0961 5.83384 14.5306 9.00231 5.58833 15.1569 11.8464 6.16616 8.25397 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 5.49877 3.96103 8.70949 5.82945 4.97996 6.93139 9.25976 10.4778 7.21225 7.5573 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 9.92932 10.5108 8.94367 12.3555 7.41373 9.33094 3.76211 7.21868 8.06642 8.62504 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 9.92932 6.20443 9.86662 12.3555 7.41373 8.69531 3.76211 7.21868 4.00092 8.62504 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 9.60411 10.5108 6.37586 12.3555 10.8635 9.33094 3.76211 7.93372 8.06642 8.62504 numMergedOcc 0
19 mol 134 unq 3 iso 0 dist 9.60411 6.20443 9.71307 12.3555 10.8635 8.69531 3.76211 7.93372 4.00092 8.62504 numMergedOcc 0
20 mol 134 unq 4 iso 0 dist 9.55556 11.9294 8.94367 8.78303 7.41373 9.33094 4.63732 7.21868 8.06642 8.62504 numMergedOcc 0
21 mol 134 unq 5 iso 0 dist 9.55556 6.36794 9.86662 8.78303 7.41373 8.69531 4.63732 7.21868 4.00092 8.62504 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 12.027 4.78563 5.37047 4.68518 5.40637 7.39837 9.29944 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 6.752 4.2475 7.45763 6.41148 8.67921 6.49765 6.10058 8.95122 8.97813 5.03818 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 5.4913 6.8901 7.45763 5.06713 8.67921 6.49765 3.50446 8.95122 8.97813 5.03818 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 9.55777 16.4881 7.21333 15.2698 6.84862 5.56538 18.855 12.0171 8.34852 8.14294 numMergedOcc 0
26 mol 222 unq 1 iso 0 dist 9.55777 16.4881 7.21333 16.9252 9.53117 7.48954 18.855 12.0171 8.34852 5.72 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 13.0848 5.83175 5.23634 10.6791 10.1802 4.664 8.85955 numMergedOcc 0
28 mol 227 unq 1 iso 0 dist 9.07872 9.9474 7.09863 13.0848 5.83175 5.23634 13.9099 10.3016 4.1511 6.09335 numMergedOcc 0
29 mol 238 unq 0 iso 0 dist 9.94315 12.521 5.72887 7.13727 7.06793 9.72188 3.72761 8.923 10.4706 4.66186 numMergedOcc 0
30 mol 238 unq 1 iso 0 dist 8.59074 9.18011 5.72887 8.56975 7.06793 9.72188 5.17342 8.923 10.4706 4.66186 numMergedOcc 0
31 mol 238 unq 2 iso 0 dist 6.2365 4.7157 5.72887 10.5721 7.06793 9.72188 9.65378 8.923 10.4706 4.66186 numMergedOcc 0
