0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 5.99459 6.88805 8.0744 12.2708 10.672 9.55056 14.144 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 7.88043 10.2446 5.99459 6.88805 8.0744 6.06176 6.36911 7.45262 8.81608 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.41585 8.80762 12.3097 5.99459 6.88805 11.7002 12.2708 10.672 7.57354 14.144 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 8.41585 8.80762 12.3097 5.99459 6.88805 11.7002 6.06176 6.36911 6.96586 8.81608 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 7.10621 5.72491 5.44992 9.67164 13.156 8.0744 10.789 7.31201 9.55056 14.144 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 7.10621 5.72491 5.44992 9.67164 13.156 8.0744 10.515 9.36807 7.45262 8.81608 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 7.95042 5.69214 4.47891 5.39241 9.75144 8.62284 11.8884 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 8.86116 6.60423 5.97304 7.95042 5.11636 4.47891 5.39241 12.4274 8.62284 11.8884 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 7.52933 5.03027 7.41888 4.70708 9.43699 8.5404 11.598 numMergedOcc 0
9 mol 25 unq 1 iso 0 dist 5.04899 6.6492 9.20601 6.55597 4.69295 8.89681 4.70708 9.43699 8.5404 11.1095 numMergedOcc 0
10 mol 25 unq 2 iso 0 dist 5.04899 6.6492 9.20601 9.71956 12.2542 6.97709 4.70708 9.43699 8.5404 11.6083 numMergedOcc 0
11 mol 25 unq 3 iso 0 dist 5.04899 6.6492 9.20601 7.07751 8.79309 5.5511 4.70708 9.43699 8.5404 10.1706 numMergedOcc 0
12 mol 25 unq 4 iso 0 dist 5.04899 6.6492 9.20601 8.23761 8.17061 4.38027 4.70708 9.43699 8.5404 11.6932 numMergedOcc 0
13 mol 25 unq 5 iso 0 dist 5.04899 6.6492 9.20601 9.49421 13.6145 11.7199 4.70708 9.43699 8.5404 8.53931 numMergedOcc 0
14 mol 56 unq 0 iso 0 dist 8.66265 6.77886 6.03623 9.03564 6.75591 10.5332 10.9467 11.5915 5.86571 16.2662 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 7.30858 5.72642 5.61704 7.69765 10.3209 7.27912 11.7126 11.695 9.9928 16.7897 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 7.30858 5.72642 5.61704 9.42082 15.3161 10.5109 11.7126 11.695 9.9928 12.9982 numMergedOcc 0
17 mol 115 unq 2 iso 0 dist 5.83991 5.72642 6.4497 7.69765 4.48636 7.27912 11.7126 13.9977 9.9928 16.7897 numMergedOcc 0
18 mol 115 unq 3 iso 0 dist 5.83991 5.72642 6.4497 9.42082 6.63111 10.5109 11.7126 13.9977 9.9928 12.9982 numMergedOcc 0
19 mol 115 unq 4 iso 0 dist 7.88312 5.72642 7.3094 7.69765 11.835 7.27912 11.7126 6.99777 9.9928 16.7897 numMergedOcc 0
20 mol 115 unq 5 iso 0 dist 7.88312 5.72642 7.3094 9.42082 6.07067 10.5109 11.7126 6.99777 9.9928 12.9982 numMergedOcc 0
21 mol 119 unq 0 iso 0 dist 8.73993 8.56342 4.91132 7.64052 9.68677 6.29394 10.0197 14.0269 9.87025 6.13374 numMergedOcc 0
22 mol 119 unq 1 iso 0 dist 8.73993 8.56342 4.91132 7.64052 9.68677 6.29394 10.6679 9.63176 5.85818 9.08536 numMergedOcc 0
23 mol 119 unq 2 iso 0 dist 9.87172 7.99857 7.61939 6.99446 6.20019 6.29394 6.35763 6.19042 9.87025 6.13374 numMergedOcc 0
24 mol 119 unq 3 iso 0 dist 9.87172 7.99857 7.61939 6.99446 6.20019 6.29394 7.36192 7.44174 5.85818 9.08536 numMergedOcc 0
25 mol 130 unq 0 iso 0 dist 8.70949 8.33077 5.97111 6.93139 4.97996 6.76477 8.84655 6.89257 6.42785 10.1252 numMergedOcc 0
26 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 7.36975 13.1926 9.05786 5.44503 9.93541 6.40901 8.18023 numMergedOcc 0
27 mol 143 unq 1 iso 0 dist 5.99315 8.41611 12.7056 5.40637 7.39837 6.16103 5.44503 9.93541 6.40901 7.46803 numMergedOcc 0
28 mol 143 unq 2 iso 0 dist 5.99315 7.63338 12.8872 7.36975 13.1926 3.75378 6.01455 9.27292 8.1582 7.05845 numMergedOcc 0
29 mol 143 unq 3 iso 0 dist 5.99315 7.63338 12.8872 7.36975 13.1926 3.75378 5.44503 9.93541 9.40626 8.18023 numMergedOcc 0
30 mol 143 unq 4 iso 0 dist 5.99315 7.63338 12.8872 5.40637 7.39837 8.4697 6.01455 9.27292 8.1582 10.55 numMergedOcc 0
31 mol 143 unq 5 iso 0 dist 5.99315 7.63338 12.8872 5.40637 7.39837 8.4697 5.44503 9.93541 9.40626 7.46803 numMergedOcc 0
32 mol 143 unq 6 iso 0 dist 5.99315 7.25673 9.23795 7.36975 13.1926 9.30534 6.01455 9.27292 7.88655 7.05845 numMergedOcc 0
33 mol 143 unq 7 iso 0 dist 5.99315 7.25673 9.23795 5.40637 7.39837 6.78032 6.01455 9.27292 7.88655 10.55 numMergedOcc 0
34 mol 175 unq 0 iso 0 dist 9.29945 7.35824 12.5754 9.63417 11.0361 5.68406 11.1651 15.9448 7.01126 11.9429 numMergedOcc 0
35 mol 175 unq 1 iso 0 dist 9.29945 9.17364 10.0424 9.63417 11.0361 9.31641 11.1651 15.9448 6.58434 11.9429 numMergedOcc 0
36 mol 178 unq 0 iso 0 dist 6.69288 4.92088 10.1489 9.11204 8.44333 7.79894 5.25267 10.5498 5.98771 11.7594 numMergedOcc 0
37 mol 178 unq 1 iso 0 dist 6.43573 4.92088 8.27339 9.11204 6.8202 7.79894 5.25267 11.4139 5.98771 11.7594 numMergedOcc 0
38 mol 178 unq 2 iso 0 dist 7.17202 4.92088 9.79302 9.11204 14.9499 7.79894 5.25267 10.2288 5.98771 11.7594 numMergedOcc 0
39 mol 178 unq 3 iso 0 dist 8.81551 4.92088 8.65097 9.11204 14.2467 7.79894 5.25267 11.4815 5.98771 11.7594 numMergedOcc 0
40 mol 214 unq 0 iso 0 dist 9.65138 6.38157 7.38025 7.46481 11.4955 5.73082 6.67959 10.852 5.10114 8.70987 numMergedOcc 0
41 mol 214 unq 1 iso 0 dist 7.14453 6.38157 9.35273 7.46481 8.459 5.73082 6.67959 12.6888 5.10114 8.70987 numMergedOcc 0
42 mol 214 unq 2 iso 0 dist 8.85478 6.38157 5.63388 7.46481 11.1534 5.73082 6.67959 7.46831 5.10114 8.70987 numMergedOcc 0
43 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 5.23634 5.0317 7.3164 9.60993 12.9493 9.20589 12.2075 numMergedOcc 0
44 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 5.23634 5.0317 7.3164 13.3557 12.3856 7.89801 11.5426 numMergedOcc 0
45 mol 227 unq 2 iso 0 dist 8.65997 5.4694 11.0628 6.91318 5.0317 7.3164 5.34702 12.9493 9.20589 12.2075 numMergedOcc 0
46 mol 227 unq 3 iso 0 dist 8.65997 5.4694 11.0628 6.91318 5.0317 7.3164 8.8709 12.3856 7.89801 11.5426 numMergedOcc 0
47 mol 227 unq 4 iso 0 dist 7.09863 8.38865 12.9587 5.23634 5.83175 7.3164 9.60993 15.4174 9.20589 12.2075 numMergedOcc 0
48 mol 227 unq 5 iso 0 dist 7.09863 8.38865 12.9587 5.23634 5.83175 7.3164 13.3557 16.1617 7.89801 11.5426 numMergedOcc 0
49 mol 238 unq 0 iso 0 dist 5.72887 7.32982 12.3808 9.72188 7.06793 13.0611 8.85181 13.9989 9.42618 18.3572 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 6.22714 5.64181 10.216 9.08509 12.7938 6.94907 10.4664 10.5202 8.6597 14.4363 numMergedOcc 0
51 mol 238 unq 2 iso 0 dist 6.22714 5.64181 10.216 9.08509 12.7938 6.94907 11.2717 12.1784 7.47235 10.529 numMergedOcc 0
52 mol 238 unq 3 iso 0 dist 6.22714 5.64181 10.216 9.08509 12.7938 6.94907 5.17471 7.49471 6.44735 5.43613 numMergedOcc 0
53 mol 238 unq 4 iso 0 dist 6.22714 5.64181 10.216 9.08509 12.7938 6.94907 5.03393 10.9946 5.91208 7.06768 numMergedOcc 0
54 mol 238 unq 5 iso 0 dist 7.31233 5.64181 7.83352 9.08509 11.0772 6.94907 10.4664 6.55759 8.6597 14.4363 numMergedOcc 0
55 mol 238 unq 6 iso 0 dist 7.31233 5.64181 7.83352 9.08509 11.0772 6.94907 11.2717 7.02475 7.47235 10.529 numMergedOcc 0
56 mol 238 unq 7 iso 0 dist 7.31233 5.64181 7.83352 9.08509 11.0772 6.94907 5.17471 7.19008 6.44735 5.43613 numMergedOcc 0
57 mol 238 unq 8 iso 0 dist 7.31233 5.64181 7.83352 9.08509 11.0772 6.94907 5.03393 11.3465 5.91208 7.06768 numMergedOcc 0
58 mol 248 unq 0 iso 0 dist 7.69895 6.17052 5.99459 9.05018 4.58289 7.14182 6.48757 6.07192 8.53148 5.0345 numMergedOcc 0
59 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 5.85442 10.067 7.32929 5.79468 7.48005 6.39918 6.23661 numMergedOcc 0
60 mol 259 unq 1 iso 0 dist 7.46176 8.55558 5.60748 6.95511 11.6988 9.55426 5.79468 7.48005 6.39918 9.43105 numMergedOcc 0
61 mol 259 unq 2 iso 0 dist 5.30224 8.59697 7.31951 8.03219 4.04513 4.67584 5.31048 8.37865 6.39918 8.84648 numMergedOcc 0
62 mol 259 unq 3 iso 0 dist 5.30224 8.59697 7.31951 6.9899 7.09907 7.32929 5.31048 8.37865 6.39918 6.23661 numMergedOcc 0
63 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 8.29262 10.7813 5.82131 12.3807 21.0973 9.42738 13.8261 numMergedOcc 0
