0 mol 24 unq 0 iso 0 dist 8.86116 6.72502 6.58998 8.09311 11.6226 9.94429 4.79736 12.3058 11.2038 7.77964 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.38394 6.72502 6.59374 8.09311 6.17155 9.94429 4.79736 10.6772 11.2038 7.77964 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 6.55597 4.69295 8.89681 6.47509 7.05196 12.8378 8.07318 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 7.57578 6.90155 9.36158 4.79873 10.2864 6.86525 5.63212 10.9703 12.3361 7.44277 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 7.17969 6.90155 10.1525 4.79873 11.4148 6.86525 5.63212 10.3338 12.3361 7.44277 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 6.75943 4.96926 4.55347 5.07458 6.66407 7.24352 8.34145 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 5.73819 8.44903 5.48048 6.66407 5.07458 4.69849 11.4153 13.8936 11.8517 9.50614 numMergedOcc 0
7 mol 43 unq 2 iso 0 dist 5.73819 8.44903 5.48048 6.66407 5.07458 4.69849 4.96926 6.75943 7.15901 8.34145 numMergedOcc 0
8 mol 43 unq 3 iso 0 dist 8.80331 9.93832 9.06158 6.6263 5.41726 4.55347 10.8828 10.0168 7.24352 8.34145 numMergedOcc 0
9 mol 43 unq 4 iso 0 dist 6.20293 8.60739 9.06158 6.75943 5.41726 4.55347 5.07458 10.0168 7.24352 8.34145 numMergedOcc 0
10 mol 43 unq 5 iso 0 dist 8.93915 8.60739 11.3891 6.75943 10.0383 4.55347 5.07458 10.9975 7.24352 8.34145 numMergedOcc 0
11 mol 56 unq 0 iso 0 dist 8.66265 6.77886 6.03623 9.03564 6.75591 10.5332 9.96534 13.2483 15.4669 8.77529 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 7.17396 8.64015 11.0904 6.56212 7.31539 4.88345 6.08003 12.4823 7.17026 8.66724 numMergedOcc 0
13 mol 59 unq 1 iso 0 dist 9.21998 8.64015 12.9211 6.56212 11.1607 4.88345 6.08003 13.2239 7.17026 8.66724 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 8.70481 8.85586 14.8866 5.5087 11.2069 5.50891 6.41115 15.0347 9.28577 8.46627 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 8.70481 8.85586 14.8866 6.08682 10.6713 4.75954 6.41115 15.0347 9.28577 9.22208 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 8.70481 7.11 8.05119 5.5087 11.2069 7.50869 6.41115 15.0347 11.9068 8.46627 numMergedOcc 0
17 mol 73 unq 3 iso 0 dist 8.70481 7.11 8.05119 6.08682 10.6713 3.6807 6.41115 15.0347 11.9068 9.22208 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 8.69985 5.34214 9.14441 7.07971 4.69373 6.8409 5.00433 8.52024 9.78192 9.09348 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 7.30858 5.72642 5.61704 9.42082 15.3161 10.5109 6.01673 13.22 10.6602 7.65564 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 5.83991 5.72642 6.4497 9.42082 6.63111 10.5109 6.01673 6.24825 10.6602 7.65564 numMergedOcc 0
21 mol 115 unq 2 iso 0 dist 7.88312 5.72642 7.3094 9.42082 6.07067 10.5109 6.01673 10.0255 10.6602 7.65564 numMergedOcc 0
22 mol 129 unq 0 iso 0 dist 5.83384 8.03372 6.67948 5.58833 9.00231 7.06894 6.16616 11.8464 13.4823 8.25397 numMergedOcc 0
23 mol 130 unq 0 iso 0 dist 8.70949 8.33077 5.97111 6.93139 4.97996 6.76477 7.21225 10.4778 6.5739 7.5573 numMergedOcc 0
24 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 7.21868 8.06642 4.935 7.41373 9.33094 5.11043 8.62504 numMergedOcc 0
25 mol 134 unq 1 iso 0 dist 9.86662 8.20836 5.12325 7.21868 4.00092 4.935 7.41373 8.69531 5.11043 8.62504 numMergedOcc 0
26 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 5.40637 7.39837 6.16103 4.78563 5.37047 13.1913 9.29944 numMergedOcc 0
27 mol 143 unq 1 iso 0 dist 5.99315 7.63338 12.8872 5.40637 7.39837 8.4697 4.78563 5.37047 10.6706 9.29944 numMergedOcc 0
28 mol 143 unq 2 iso 0 dist 5.99315 9.03707 7.76364 5.40637 7.39837 5.41614 4.78563 5.37047 10.8457 9.29944 numMergedOcc 0
29 mol 143 unq 3 iso 0 dist 5.99315 7.25673 9.23795 5.40637 7.39837 6.78032 4.78563 5.37047 8.612 9.29944 numMergedOcc 0
30 mol 186 unq 0 iso 0 dist 7.54065 7.20574 8.90184 6.61112 11.0961 8.58039 10.8286 17.8564 14.6369 8.5672 numMergedOcc 0
31 mol 214 unq 0 iso 0 dist 9.65138 6.38157 7.38025 7.46481 11.4955 5.73082 16.8346 18.1547 13.6759 9.43017 numMergedOcc 0
32 mol 214 unq 1 iso 0 dist 7.14453 6.38157 9.35273 7.46481 8.459 5.73082 16.8346 15.2984 13.6759 9.43017 numMergedOcc 0
33 mol 214 unq 2 iso 0 dist 8.85478 6.38157 5.63388 7.46481 11.1534 5.73082 16.8346 18.5607 13.6759 9.43017 numMergedOcc 0
34 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 5.23634 5.0317 7.3164 4.664 11.595 10.5857 8.85955 numMergedOcc 0
35 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 5.23634 5.0317 7.3164 4.1511 9.91384 5.28771 6.09335 numMergedOcc 0
36 mol 227 unq 2 iso 0 dist 8.65997 5.4694 11.0628 6.91318 5.0317 7.3164 8.49509 11.595 10.5857 8.85955 numMergedOcc 0
37 mol 227 unq 3 iso 0 dist 8.65997 5.4694 11.0628 6.91318 5.0317 7.3164 4.69247 9.91384 5.28771 6.09335 numMergedOcc 0
38 mol 227 unq 4 iso 0 dist 7.09863 8.38865 12.9587 5.23634 5.83175 7.3164 4.664 10.1802 10.5857 8.85955 numMergedOcc 0
39 mol 227 unq 5 iso 0 dist 7.09863 8.38865 12.9587 5.23634 5.83175 7.3164 4.1511 10.3016 5.28771 6.09335 numMergedOcc 0
40 mol 238 unq 0 iso 0 dist 5.72887 7.32982 12.3808 9.72188 7.06793 13.0611 10.4706 8.923 13.4758 4.66186 numMergedOcc 0
41 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 8.29262 10.7813 5.82131 13.2035 19.5824 7.14086 9.78237 numMergedOcc 0
