0 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 8.09311 11.6226 6.17155 4.79736 12.3058 10.6772 7.77964 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.38394 8.86116 6.44287 8.09311 6.17155 11.6226 4.79736 10.6772 12.3058 7.77964 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 7.57578 7.17969 4.33106 4.79873 10.2864 11.4148 5.63212 10.9703 10.3338 7.44277 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 7.17969 7.57578 4.33106 4.79873 11.4148 10.2864 5.63212 10.3338 10.9703 7.44277 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 6.75943 4.96926 5.41726 5.07458 6.66407 10.0168 8.34145 numMergedOcc 0
5 mol 43 unq 0 iso 1 dist 6.20293 5.73819 5.06502 6.75943 5.41726 4.96926 5.07458 10.0168 6.66407 8.34145 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 5.73819 8.93915 5.89973 6.75943 4.96926 10.0383 5.07458 6.66407 10.9975 8.34145 numMergedOcc 0
7 mol 43 unq 1 iso 1 dist 8.93915 5.73819 5.89973 6.75943 10.0383 4.96926 5.07458 10.9975 6.66407 8.34145 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 6.20293 8.93915 6.45462 6.75943 5.41726 10.0383 5.07458 10.0168 10.9975 8.34145 numMergedOcc 0
9 mol 43 unq 1 iso 1 dist 8.93915 6.20293 6.45462 6.75943 10.0383 5.41726 5.07458 10.9975 10.0168 8.34145 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 7.17396 9.21998 6.05545 6.56212 7.31539 11.1607 6.08003 12.4823 13.2239 8.66724 numMergedOcc 0
11 mol 59 unq 0 iso 1 dist 9.21998 7.17396 6.05545 6.56212 11.1607 7.31539 6.08003 13.2239 12.4823 8.66724 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 7.27724 8.03644 8.41707 9.3948 3.94537 11.3215 13.086 10.3995 18.3711 8.75345 numMergedOcc 0
13 mol 95 unq 0 iso 1 dist 8.03644 7.27724 8.41707 9.3948 11.3215 3.94537 13.086 18.3711 10.3995 8.75345 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 7.30858 5.83991 10.8507 9.42082 15.3161 6.63111 6.01673 13.22 6.24825 7.65564 numMergedOcc 0
15 mol 115 unq 0 iso 1 dist 5.83991 7.30858 10.8507 9.42082 6.63111 15.3161 6.01673 6.24825 13.22 7.65564 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 7.30858 7.88312 11.5723 9.42082 15.3161 6.07067 6.01673 13.22 10.0255 7.65564 numMergedOcc 0
17 mol 115 unq 1 iso 1 dist 7.88312 7.30858 11.5723 9.42082 6.07067 15.3161 6.01673 10.0255 13.22 7.65564 numMergedOcc 0
18 mol 115 unq 2 iso 0 dist 9.33865 6.11741 8.02349 6.39384 6.63111 6.07067 6.95773 6.24825 10.0255 7.65564 numMergedOcc 0
19 mol 115 unq 2 iso 1 dist 6.11741 9.33865 8.02349 6.39384 6.07067 6.63111 6.95773 10.0255 6.24825 7.65564 numMergedOcc 0
20 mol 115 unq 3 iso 0 dist 9.33865 5.83991 7.69052 6.24825 6.95773 6.01673 6.63111 6.39384 9.42082 7.65564 numMergedOcc 0
21 mol 115 unq 3 iso 1 dist 5.83991 9.33865 7.69052 6.24825 6.01673 6.95773 6.63111 9.42082 6.39384 7.65564 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 5.83991 7.88312 8.02349 9.42082 6.63111 6.07067 6.01673 6.24825 10.0255 7.65564 numMergedOcc 0
23 mol 115 unq 1 iso 1 dist 7.88312 5.83991 8.02349 9.42082 6.07067 6.63111 6.01673 10.0255 6.24825 7.65564 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 7.24514 8.22656 6.65743 8.26547 5.03174 4.88025 6.9945 10.4642 7.22643 7.48208 numMergedOcc 0
25 mol 133 unq 0 iso 1 dist 8.22656 7.24514 6.65743 8.26547 4.88025 5.03174 6.9945 7.22643 10.4642 7.48208 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 8.22656 6.82262 5.61668 7.22643 6.9945 4.19723 4.88025 8.26547 9.05342 7.48208 numMergedOcc 0
27 mol 133 unq 1 iso 1 dist 6.82262 8.22656 5.61668 7.22643 4.19723 6.9945 4.88025 9.05342 8.26547 7.48208 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 7.21868 8.06642 4.00092 7.41373 9.33094 8.69531 8.62504 numMergedOcc 0
29 mol 134 unq 0 iso 1 dist 9.86662 8.94367 6.81259 7.21868 4.00092 8.06642 7.41373 8.69531 9.33094 8.62504 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 8.94367 6.37586 5.49782 9.33094 7.41373 10.8635 8.06642 7.21868 7.93372 8.62504 numMergedOcc 0
31 mol 134 unq 1 iso 1 dist 6.37586 8.94367 5.49782 9.33094 10.8635 7.41373 8.06642 7.93372 7.21868 8.62504 numMergedOcc 0
32 mol 134 unq 2 iso 0 dist 8.94367 6.49416 8.80819 9.33094 7.41373 12.3479 8.06642 7.21868 11.988 8.62504 numMergedOcc 0
33 mol 134 unq 2 iso 1 dist 6.49416 8.94367 8.80819 9.33094 12.3479 7.41373 8.06642 11.988 7.21868 8.62504 numMergedOcc 0
34 mol 134 unq 3 iso 0 dist 6.37586 9.71307 6.81259 7.93372 8.06642 4.00092 10.8635 9.33094 8.69531 8.62504 numMergedOcc 0
35 mol 134 unq 3 iso 1 dist 9.71307 6.37586 6.81259 7.93372 4.00092 8.06642 10.8635 8.69531 9.33094 8.62504 numMergedOcc 0
36 mol 134 unq 2 iso 0 dist 6.37586 6.49416 5.00817 9.33094 10.8635 12.3479 8.06642 7.93372 11.988 8.62504 numMergedOcc 0
37 mol 134 unq 2 iso 1 dist 6.49416 6.37586 5.00817 9.33094 12.3479 10.8635 8.06642 11.988 7.93372 8.62504 numMergedOcc 0
38 mol 134 unq 1 iso 0 dist 9.86662 9.71307 5.49782 8.69531 7.41373 10.8635 4.00092 7.21868 7.93372 8.62504 numMergedOcc 0
39 mol 134 unq 1 iso 1 dist 9.71307 9.86662 5.49782 8.69531 10.8635 7.41373 4.00092 7.93372 7.21868 8.62504 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 7.81386 7.63312 8.85576 9.01624 5.71898 5.93724 5.42158 9.81178 10.6106 9.92831 numMergedOcc 0
41 mol 181 unq 0 iso 1 dist 7.63312 7.81386 8.85576 9.01624 5.93724 5.71898 5.42158 10.6106 9.81178 9.92831 numMergedOcc 0
42 mol 205 unq 0 iso 0 dist 9.61492 7.45763 11.8283 6.49765 10.6504 8.67921 8.97813 15.255 8.95122 5.03818 numMergedOcc 0
43 mol 205 unq 0 iso 1 dist 7.45763 9.61492 11.8283 6.49765 8.67921 10.6504 8.97813 8.95122 15.255 5.03818 numMergedOcc 0
44 mol 214 unq 0 iso 0 dist 9.65138 7.14453 9.10746 7.46481 11.4955 8.459 16.8346 18.1547 15.2984 9.43017 numMergedOcc 0
45 mol 214 unq 0 iso 1 dist 7.14453 9.65138 9.10746 7.46481 8.459 11.4955 16.8346 15.2984 18.1547 9.43017 numMergedOcc 0
46 mol 214 unq 1 iso 0 dist 9.65138 8.85478 4.40923 7.46481 11.4955 11.1534 16.8346 18.1547 18.5607 9.43017 numMergedOcc 0
47 mol 214 unq 1 iso 1 dist 8.85478 9.65138 4.40923 7.46481 11.1534 11.4955 16.8346 18.5607 18.1547 9.43017 numMergedOcc 0
48 mol 214 unq 1 iso 0 dist 7.14453 8.85478 11.3796 7.46481 8.459 11.1534 16.8346 15.2984 18.5607 9.43017 numMergedOcc 0
49 mol 214 unq 1 iso 1 dist 8.85478 7.14453 11.3796 7.46481 11.1534 8.459 16.8346 18.5607 15.2984 9.43017 numMergedOcc 0
50 mol 227 unq 0 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 4.664 11.595 10.1802 8.85955 numMergedOcc 0
51 mol 227 unq 0 iso 1 dist 7.09863 7.22101 4.39704 5.23634 5.83175 5.0317 4.664 10.1802 11.595 8.85955 numMergedOcc 0
52 mol 227 unq 1 iso 0 dist 7.22101 7.09863 4.39704 5.23634 5.0317 5.83175 4.1511 9.91384 10.3016 6.09335 numMergedOcc 0
53 mol 227 unq 1 iso 1 dist 7.09863 7.22101 4.39704 5.23634 5.83175 5.0317 4.1511 10.3016 9.91384 6.09335 numMergedOcc 0
