0 mol 7 unq 0 iso 0 dist 8.41585 5.99459 6.88805 12.2041 10.5461 9.67164 7.88043 10.2446 8.0744 5.72491 12.2708 10.672 14.144 10.789 9.55056 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 5.99459 6.88805 12.2041 10.5461 9.67164 7.88043 10.2446 8.0744 5.72491 6.06176 6.36911 8.81608 10.515 7.45262 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 9.67164 13.156 12.2041 12.2333 5.99459 5.72491 5.44992 8.0744 7.88043 10.789 7.31201 14.144 12.2708 9.55056 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.10621 9.67164 13.156 12.2041 12.2333 5.99459 5.72491 5.44992 8.0744 7.88043 10.515 9.36807 8.81608 6.06176 7.45262 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 7.10621 9.67164 13.156 12.2041 12.2333 5.99459 9.67579 4.74523 11.7002 8.80762 10.789 7.31201 14.144 12.2708 7.57354 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 7.10621 9.67164 13.156 12.2041 12.2333 5.99459 9.67579 4.74523 11.7002 8.80762 10.515 9.36807 8.81608 6.06176 6.96586 numMergedOcc 0
6 mol 8 unq 0 iso 0 dist 9.62879 9.01112 7.12261 10.9495 10.9634 6.56356 10.6335 7.43529 8.64248 6.82379 19.0615 14.7292 17.0548 13.7792 8.94096 numMergedOcc 0
7 mol 8 unq 1 iso 0 dist 9.62879 9.01112 7.12261 10.9495 10.9634 6.56356 10.6335 7.43529 8.64248 6.82379 12.9498 10.2611 15.5373 15.4959 9.07858 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 7.57578 9.48085 5.18617 10.9391 12.7009 9.49421 16.357 15.572 11.7199 6.6492 12.1492 12.8446 8.53931 4.70708 8.5404 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 7.17969 9.48085 5.68041 10.9391 12.8117 9.49421 16.357 16.7731 11.7199 6.6492 12.1492 11.7303 8.53931 4.70708 8.5404 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 9.33865 6.39384 6.63111 7.69052 5.83991 9.42082 10.9734 6.4497 10.5109 5.72642 10.8292 13.9977 12.9982 11.7126 9.9928 numMergedOcc 0
11 mol 115 unq 1 iso 0 dist 6.11741 6.39384 6.07067 7.69052 7.88312 9.42082 10.9734 7.3094 10.5109 5.72642 10.8292 6.99777 12.9982 11.7126 9.9928 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.73993 7.64052 9.68677 4.85907 10.3704 6.99446 8.56342 4.91132 6.29394 7.99857 10.0197 14.0269 6.13374 6.35763 9.87025 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 8.73993 7.64052 9.68677 4.85907 10.3704 6.99446 8.56342 4.91132 6.29394 7.99857 10.6679 9.63176 9.08536 7.36192 5.85818 numMergedOcc 0
14 mol 119 unq 2 iso 0 dist 9.87172 6.99446 6.20019 4.85907 12.6489 7.64052 7.99857 7.61939 6.29394 8.56342 6.35763 6.19042 6.13374 10.0197 9.87025 numMergedOcc 0
15 mol 119 unq 3 iso 0 dist 9.87172 6.99446 6.20019 4.85907 12.6489 7.64052 7.99857 7.61939 6.29394 8.56342 7.36192 7.44174 9.08536 10.6679 5.85818 numMergedOcc 0
16 mol 119 unq 4 iso 0 dist 6.18601 8.95212 4.39676 10.9871 10.1813 6.99446 14.6439 10.326 6.29394 7.99857 10.3457 8.43904 6.13374 6.35763 9.87025 numMergedOcc 0
17 mol 119 unq 5 iso 0 dist 6.18601 8.95212 4.39676 10.9871 10.1813 6.99446 14.6439 10.326 6.29394 7.99857 16.7975 13.4411 9.08536 7.36192 5.85818 numMergedOcc 0
18 mol 119 unq 6 iso 0 dist 6.18601 8.95212 4.39676 9.93257 9.72413 7.64052 14.6439 10.326 6.29394 8.56342 10.3457 8.43904 6.13374 10.0197 9.87025 numMergedOcc 0
19 mol 119 unq 7 iso 0 dist 6.18601 8.95212 4.39676 9.93257 9.72413 7.64052 14.6439 10.326 6.29394 8.56342 16.7975 13.4411 9.08536 10.6679 5.85818 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 7.22101 5.23634 5.0317 5.22356 8.65997 6.91318 8.38865 11.0628 7.3164 5.4694 9.60993 12.9493 12.2075 5.34702 9.20589 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 7.22101 5.23634 5.0317 5.22356 8.65997 6.91318 8.38865 11.0628 7.3164 5.4694 13.3557 12.3856 11.5426 8.8709 7.89801 numMergedOcc 0
22 mol 227 unq 2 iso 0 dist 8.65997 6.91318 5.0317 5.22356 7.22101 5.23634 5.4694 11.0628 7.3164 8.38865 5.34702 12.9493 12.2075 9.60993 9.20589 numMergedOcc 0
23 mol 227 unq 3 iso 0 dist 8.65997 6.91318 5.0317 5.22356 7.22101 5.23634 5.4694 11.0628 7.3164 8.38865 8.8709 12.3856 11.5426 13.3557 7.89801 numMergedOcc 0
24 mol 227 unq 4 iso 0 dist 7.09863 5.23634 5.83175 5.22356 10.8157 6.91318 8.38865 12.9587 7.3164 5.4694 9.60993 15.4174 12.2075 5.34702 9.20589 numMergedOcc 0
25 mol 227 unq 5 iso 0 dist 7.09863 5.23634 5.83175 5.22356 10.8157 6.91318 8.38865 12.9587 7.3164 5.4694 13.3557 16.1617 11.5426 8.8709 7.89801 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 6.22714 9.08509 12.7938 10.1813 11.0896 6.99888 11.9624 13.0113 5.63944 5.52379 12.6986 12.1937 9.99105 11.6239 7.61203 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 6.22714 9.08509 12.7938 10.1813 11.0896 6.99888 11.9624 13.0113 5.63944 5.52379 17.6075 16.2555 13.7042 13.9614 9.47845 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 6.22714 9.08509 12.7938 10.1813 11.0896 6.99888 11.9624 13.0113 5.63944 5.52379 17.0242 17.2889 10.8123 12.3042 6.92409 numMergedOcc 0
29 mol 238 unq 3 iso 0 dist 6.22714 9.08509 12.7938 10.1813 11.0896 6.99888 11.9624 13.0113 5.63944 5.52379 5.17471 7.49471 5.43613 5.54325 6.89694 numMergedOcc 0
30 mol 238 unq 4 iso 0 dist 7.31233 9.12776 10.3162 15.7907 19.5656 9.72188 17.2012 20.9702 13.0611 7.32982 22.6271 27.5681 18.3572 8.85181 9.42618 numMergedOcc 0
31 mol 238 unq 5 iso 0 dist 7.31233 9.08509 11.0772 10.1813 11.5794 6.99888 11.9624 11.0349 5.63944 5.52379 12.6986 7.67322 9.99105 11.6239 7.61203 numMergedOcc 0
32 mol 238 unq 6 iso 0 dist 7.31233 9.08509 11.0772 10.1813 11.5794 6.99888 11.9624 11.0349 5.63944 5.52379 17.6075 12.3367 13.7042 13.9614 9.47845 numMergedOcc 0
33 mol 238 unq 7 iso 0 dist 7.31233 9.08509 11.0772 10.1813 11.5794 6.99888 11.9624 11.0349 5.63944 5.52379 17.0242 13.5581 10.8123 12.3042 6.92409 numMergedOcc 0
34 mol 238 unq 8 iso 0 dist 7.31233 9.08509 11.0772 10.1813 11.5794 6.99888 11.9624 11.0349 5.63944 5.52379 5.17471 7.19008 5.43613 5.54325 6.89694 numMergedOcc 0
35 mol 259 unq 0 iso 0 dist 8.13497 9.46361 12.2293 6.96053 10.3935 6.95511 10.5803 6.1686 9.55426 8.55558 11.6195 10.9591 9.43105 5.79468 6.39918 numMergedOcc 0
36 mol 259 unq 1 iso 0 dist 7.88519 9.46361 11.6988 6.96053 7.46176 6.95511 10.5803 5.60748 9.55426 8.55558 11.6195 7.48005 9.43105 5.79468 6.39918 numMergedOcc 0
37 mol 259 unq 2 iso 0 dist 7.46176 5.85442 10.067 9.98105 12.0576 6.9899 8.55558 5.60748 7.32929 8.59697 5.79468 7.48005 6.23661 5.31048 6.39918 numMergedOcc 0
38 mol 259 unq 3 iso 0 dist 5.30224 6.9899 7.09907 9.98105 11.858 5.85442 8.59697 7.31951 7.32929 8.55558 5.31048 8.37865 6.23661 5.79468 6.39918 numMergedOcc 0
39 mol 264 unq 0 iso 0 dist 9.17653 8.29262 10.7813 4.92077 13.4025 9.19754 6.14323 13.0621 5.82131 6.04162 12.3807 21.0973 13.8261 8.16326 9.42738 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 9.7748 8.9682 17.6038 11.8268 21.4606 9.57499 12.7237 20.9011 14.6871 6.57903 12.6113 19.8242 15.7984 9.92201 7.25677 numMergedOcc 0
