0 mol 24 unq 0 iso 0 dist 8.86116 6.86014 10.0952 11.6226 8.09311 16.0162 12.3058 4.79736 13.0134 7.77964 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 5.07458 6.66407 10.0168 13.8936 11.4153 16.2527 9.50614 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 5.73819 6.20293 5.06502 5.07458 6.66407 10.0168 6.75943 4.96926 5.41726 8.34145 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 5.73819 8.93915 5.89973 5.07458 6.66407 10.9975 13.8936 11.4153 15.8074 9.50614 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 5.73819 8.93915 5.89973 5.07458 6.66407 10.9975 6.75943 4.96926 10.0383 8.34145 numMergedOcc 0
5 mol 43 unq 4 iso 0 dist 8.80331 6.20293 8.13395 5.41726 6.6263 6.75943 10.0168 10.8828 5.07458 8.34145 numMergedOcc 0
6 mol 43 unq 5 iso 0 dist 6.20293 8.80331 8.13395 5.41726 6.75943 6.6263 10.0168 5.07458 10.8828 8.34145 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 8.70481 9.96396 14.9342 11.2069 5.5087 13.3207 15.0347 6.41115 20.8191 8.46627 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.70481 9.96396 14.9342 10.6713 6.08682 14.498 15.0347 6.41115 20.8191 9.22208 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 8.70481 6.19304 13.3558 11.2069 5.5087 13.8368 15.0347 6.41115 19.6728 8.46627 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 8.70481 6.19304 13.3558 10.6713 6.08682 14.5999 15.0347 6.41115 19.6728 9.22208 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 9.64443 9.33898 13.1316 5.31547 9.36001 10.9241 12.8197 6.77937 13.2926 9.99441 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 8.03644 9.03572 16.6055 11.3215 9.3948 19.7448 18.3711 13.086 27.2501 8.75345 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 8.03644 8.83255 13.8105 11.3215 9.3948 19.9408 18.3711 13.086 26.2531 8.75345 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 9.33865 6.11741 8.02349 6.95773 6.24825 10.0255 6.39384 6.63111 6.07067 7.65564 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 9.33865 5.83991 7.69052 6.63111 6.39384 9.42082 6.24825 6.95773 6.01673 7.65564 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 5.83991 7.30858 10.8507 6.01673 6.24825 13.22 9.42082 6.63111 15.3161 7.65564 numMergedOcc 0
17 mol 115 unq 3 iso 0 dist 5.83991 7.88312 8.02349 6.01673 6.24825 10.0255 9.42082 6.63111 6.07067 7.65564 numMergedOcc 0
18 mol 115 unq 4 iso 0 dist 5.83991 9.33865 7.69052 6.63111 9.42082 6.39384 6.24825 6.01673 6.95773 7.65564 numMergedOcc 0
19 mol 115 unq 5 iso 0 dist 6.11741 7.88312 7.69052 6.07067 6.39384 9.42082 10.0255 6.95773 6.01673 7.65564 numMergedOcc 0
20 mol 115 unq 6 iso 0 dist 7.88312 6.11741 7.69052 6.07067 9.42082 6.39384 10.0255 6.01673 6.95773 7.65564 numMergedOcc 0
21 mol 129 unq 0 iso 0 dist 5.83384 9.61051 9.05135 9.00231 5.58833 14.5521 11.8464 6.16616 10.7104 8.25397 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 7.24514 9.91388 6.761 5.03174 8.26547 12.4934 10.4642 6.9945 11.8451 7.48208 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 7.24514 9.52634 7.6656 5.03174 8.26547 13.5471 10.4642 6.9945 14.6139 7.48208 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 8.22656 7.24514 6.65743 6.9945 7.22643 10.4642 8.26547 4.88025 5.03174 7.48208 numMergedOcc 0
25 mol 133 unq 3 iso 0 dist 8.22656 6.82262 5.61668 4.88025 8.26547 9.05342 7.22643 6.9945 4.19723 7.48208 numMergedOcc 0
26 mol 133 unq 4 iso 0 dist 6.82262 8.22656 5.61668 4.88025 9.05342 8.26547 7.22643 4.19723 6.9945 7.48208 numMergedOcc 0
27 mol 134 unq 0 iso 0 dist 8.94367 9.86662 6.81259 7.41373 9.33094 8.69531 7.21868 8.06642 4.00092 8.62504 numMergedOcc 0
28 mol 134 unq 1 iso 0 dist 8.94367 6.37586 5.49782 8.06642 7.21868 7.93372 9.33094 7.41373 10.8635 8.62504 numMergedOcc 0
29 mol 134 unq 2 iso 0 dist 8.94367 6.49416 8.80819 8.06642 7.21868 11.988 9.33094 7.41373 12.3479 8.62504 numMergedOcc 0
30 mol 134 unq 3 iso 0 dist 6.37586 9.71307 6.81259 10.8635 9.33094 8.69531 7.93372 8.06642 4.00092 8.62504 numMergedOcc 0
31 mol 134 unq 4 iso 0 dist 6.37586 8.94367 5.49782 8.06642 7.93372 7.21868 9.33094 10.8635 7.41373 8.62504 numMergedOcc 0
32 mol 134 unq 5 iso 0 dist 6.37586 6.49416 5.00817 8.06642 7.93372 11.988 9.33094 10.8635 12.3479 8.62504 numMergedOcc 0
33 mol 134 unq 6 iso 0 dist 6.49416 6.54501 5.00526 12.3479 9.33094 11.2896 11.988 8.06642 12.847 8.62504 numMergedOcc 0
34 mol 134 unq 7 iso 0 dist 9.86662 8.94367 6.81259 7.41373 8.69531 9.33094 7.21868 4.00092 8.06642 8.62504 numMergedOcc 0
35 mol 134 unq 8 iso 0 dist 9.86662 9.71307 5.49782 4.00092 7.21868 7.93372 8.69531 7.41373 10.8635 8.62504 numMergedOcc 0
36 mol 134 unq 9 iso 0 dist 9.71307 6.37586 6.81259 10.8635 8.69531 9.33094 7.93372 4.00092 8.06642 8.62504 numMergedOcc 0
37 mol 134 unq 10 iso 0 dist 9.71307 9.86662 5.49782 4.00092 7.93372 7.21868 8.69531 10.8635 7.41373 8.62504 numMergedOcc 0
38 mol 178 unq 0 iso 0 dist 6.69288 6.43573 5.34677 6.42973 7.06025 10.0638 9.79683 10.8974 10.7218 7.86352 numMergedOcc 0
39 mol 178 unq 1 iso 0 dist 6.69288 7.17202 11.7381 6.42973 7.06025 13.2692 9.79683 10.8974 16.4394 7.86352 numMergedOcc 0
40 mol 178 unq 2 iso 0 dist 6.69288 8.81551 14.0703 6.42973 7.06025 15.0672 9.79683 10.8974 15.7071 7.86352 numMergedOcc 0
41 mol 186 unq 0 iso 0 dist 7.54065 9.70748 13.8792 11.0961 6.61112 18.4751 17.8564 10.8286 23.0199 8.5672 numMergedOcc 0
42 mol 186 unq 1 iso 0 dist 7.54065 8.87694 5.74635 11.0961 6.61112 11.456 17.8564 10.8286 14.7662 8.5672 numMergedOcc 0
43 mol 222 unq 0 iso 0 dist 7.21333 8.01589 13.3522 6.84862 5.56538 14.4477 12.0171 8.34852 16.815 8.14294 numMergedOcc 0
44 mol 222 unq 1 iso 0 dist 7.21333 8.01589 13.3522 9.53117 7.48954 16.3082 12.0171 8.34852 16.815 5.72 numMergedOcc 0
45 mol 222 unq 2 iso 0 dist 7.21333 7.7699 5.24516 6.84862 5.56538 10.0233 12.0171 8.34852 11.1369 8.14294 numMergedOcc 0
46 mol 222 unq 3 iso 0 dist 7.21333 7.7699 5.24516 9.53117 7.48954 11.839 12.0171 8.34852 11.1369 5.72 numMergedOcc 0
47 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 5.0317 5.23634 10.7855 11.595 4.664 9.61786 8.85955 numMergedOcc 0
48 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 5.0317 5.23634 10.7855 9.91384 4.1511 10.012 6.09335 numMergedOcc 0
49 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 5.0317 5.23634 6.91318 11.595 4.664 8.49509 8.85955 numMergedOcc 0
50 mol 227 unq 3 iso 0 dist 7.22101 8.65997 5.22356 5.0317 5.23634 6.91318 9.91384 4.1511 4.69247 6.09335 numMergedOcc 0
51 mol 227 unq 4 iso 0 dist 7.22101 7.56888 10.8658 5.0317 5.23634 11.2661 11.595 4.664 15.15 8.85955 numMergedOcc 0
52 mol 227 unq 5 iso 0 dist 7.22101 7.56888 10.8658 5.0317 5.23634 11.2661 9.91384 4.1511 13.4494 6.09335 numMergedOcc 0
53 mol 227 unq 6 iso 0 dist 7.22101 7.55216 12.4689 5.0317 5.23634 12.3663 11.595 4.664 16.5958 8.85955 numMergedOcc 0
54 mol 227 unq 7 iso 0 dist 7.22101 7.55216 12.4689 5.0317 5.23634 12.3663 9.91384 4.1511 15.7786 6.09335 numMergedOcc 0
55 mol 227 unq 8 iso 0 dist 8.65997 9.34734 7.60506 5.0317 6.91318 10.7855 11.595 8.49509 9.61786 8.85955 numMergedOcc 0
56 mol 227 unq 9 iso 0 dist 8.65997 9.34734 7.60506 5.0317 6.91318 10.7855 9.91384 4.69247 10.012 6.09335 numMergedOcc 0
57 mol 227 unq 10 iso 0 dist 8.65997 7.22101 5.22356 5.0317 6.91318 5.23634 11.595 8.49509 4.664 8.85955 numMergedOcc 0
58 mol 227 unq 11 iso 0 dist 8.65997 7.22101 5.22356 5.0317 6.91318 5.23634 9.91384 4.69247 4.1511 6.09335 numMergedOcc 0
59 mol 227 unq 12 iso 0 dist 8.65997 7.56888 9.70012 5.0317 6.91318 11.2661 11.595 8.49509 15.15 8.85955 numMergedOcc 0
60 mol 227 unq 13 iso 0 dist 8.65997 7.56888 9.70012 5.0317 6.91318 11.2661 9.91384 4.69247 13.4494 6.09335 numMergedOcc 0
61 mol 227 unq 14 iso 0 dist 8.65997 7.55216 12.9332 5.0317 6.91318 12.3663 11.595 8.49509 16.5958 8.85955 numMergedOcc 0
62 mol 227 unq 15 iso 0 dist 8.65997 7.55216 12.9332 5.0317 6.91318 12.3663 9.91384 4.69247 15.7786 6.09335 numMergedOcc 0
63 mol 238 unq 0 iso 0 dist 7.31233 6.22714 5.34096 10.3162 9.12776 8.69015 10.1172 5.71717 6.82305 4.66186 numMergedOcc 0
