0 mol 0 unq 0 iso 0 dist 6.80636 5.56852 5.88757 11.5668 10.5877 9.72725 13.3498 8.8123 8.66548 14.2251 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.23213 12.9149 8.66548 15.3236 14.2251 9.72725 15.944 8.8123 5.88757 10.5877 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.85412 5.84314 9.71516 8.57077 8.27962 5.8245 6.33889 5.80437 9.81658 11.4878 numMergedOcc 0
3 mol 9 unq 1 iso 0 dist 6.33889 5.84314 9.81658 8.57077 11.4878 5.8245 6.85412 5.80437 9.71516 8.27962 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.73162 7.11305 9.96121 10.2542 6.10146 9.12845 13.2086 14.531 9.06516 14.1424 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 9.33535 9.53718 7.03126 17.3504 10.8078 8.66539 17.7263 14.2885 9.68228 6.35371 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 9.33535 9.53718 7.03126 12.0187 5.98837 5.38524 17.7263 14.2885 9.68228 8.48255 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 9.33535 9.53718 7.03126 10.1508 4.55117 8.69057 17.7263 14.2885 9.68228 13.3401 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 8.26899 5.61579 7.03126 11.715 10.8078 8.66539 10.947 14.2885 9.68228 6.35371 numMergedOcc 0
9 mol 58 unq 4 iso 0 dist 8.26899 5.61579 7.03126 6.81627 5.98837 5.38524 10.947 14.2885 9.68228 8.48255 numMergedOcc 0
10 mol 58 unq 5 iso 0 dist 8.26899 5.61579 7.03126 7.32874 4.55117 8.69057 10.947 14.2885 9.68228 13.3401 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 8.624 3.94376 5.4605 10.8086 7.11552 9.55118 9.99431 6.31884 6.1906 12.3903 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 8.624 3.94376 5.4605 10.8086 7.11552 9.55118 10.0983 4.64409 6.7272 7.17489 numMergedOcc 0
13 mol 72 unq 2 iso 0 dist 6.77912 5.69391 5.4605 9.96708 7.11552 9.55118 10.4226 6.31884 6.1906 12.3903 numMergedOcc 0
14 mol 72 unq 3 iso 0 dist 6.77912 5.69391 5.4605 9.96708 7.11552 9.55118 10.4676 4.64409 6.7272 7.17489 numMergedOcc 0
15 mol 76 unq 0 iso 0 dist 6.21982 5.31985 9.4866 10.0992 10.963 8.13108 12.0091 10.6948 9.40363 7.18506 numMergedOcc 0
16 mol 76 unq 1 iso 0 dist 8.19682 15.4159 9.4866 16.758 10.963 8.13108 18.5663 10.6948 9.40363 7.18506 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 7.39889 14.443 9.08536 23.1442 16.7975 8.95212 15.1819 8.58342 6.13374 10.3457 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 7.39889 14.443 9.08536 14.5183 7.36192 6.99446 15.1819 8.58342 6.13374 6.35763 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 7.39889 14.443 9.08536 16.7981 10.6679 7.64052 15.1819 8.58342 6.13374 10.0197 numMergedOcc 0
20 mol 119 unq 3 iso 0 dist 9.63176 9.68677 9.08536 16.4353 16.7975 8.95212 14.0269 8.58342 6.13374 10.3457 numMergedOcc 0
21 mol 119 unq 4 iso 0 dist 9.63176 9.68677 9.08536 10.3704 7.36192 6.99446 14.0269 8.58342 6.13374 6.35763 numMergedOcc 0
22 mol 119 unq 5 iso 0 dist 9.63176 9.68677 9.08536 8.73993 10.6679 7.64052 14.0269 8.58342 6.13374 10.0197 numMergedOcc 0
23 mol 119 unq 6 iso 0 dist 6.19042 6.20019 6.13374 13.9919 10.3457 8.95212 7.44174 8.58342 9.08536 16.7975 numMergedOcc 0
24 mol 119 unq 7 iso 0 dist 6.19042 6.20019 6.13374 9.87172 6.35763 6.99446 7.44174 8.58342 9.08536 7.36192 numMergedOcc 0
25 mol 119 unq 8 iso 0 dist 6.19042 6.20019 6.13374 12.6489 10.0197 7.64052 7.44174 8.58342 9.08536 10.6679 numMergedOcc 0
26 mol 119 unq 9 iso 0 dist 7.44174 6.20019 9.08536 13.9919 16.7975 8.95212 6.19042 8.58342 6.13374 10.3457 numMergedOcc 0
27 mol 119 unq 10 iso 0 dist 7.44174 6.20019 9.08536 9.87172 7.36192 6.99446 6.19042 8.58342 6.13374 6.35763 numMergedOcc 0
28 mol 119 unq 11 iso 0 dist 7.44174 6.20019 9.08536 12.6489 10.6679 7.64052 6.19042 8.58342 6.13374 10.0197 numMergedOcc 0
29 mol 119 unq 12 iso 0 dist 8.43904 4.39676 6.13374 6.18601 10.3457 8.95212 13.4411 8.58342 9.08536 16.7975 numMergedOcc 0
30 mol 119 unq 13 iso 0 dist 8.43904 4.39676 6.13374 10.1813 6.35763 6.99446 13.4411 8.58342 9.08536 7.36192 numMergedOcc 0
31 mol 119 unq 14 iso 0 dist 8.43904 4.39676 6.13374 9.72413 10.0197 7.64052 13.4411 8.58342 9.08536 10.6679 numMergedOcc 0
32 mol 143 unq 0 iso 0 dist 7.31468 7.63293 7.05845 10.6877 6.01455 7.36975 14.3738 10.2334 8.18023 5.44503 numMergedOcc 0
33 mol 143 unq 1 iso 0 dist 7.7056 11.903 7.05845 12.7524 6.01455 7.36975 17.4028 10.2334 8.18023 5.44503 numMergedOcc 0
34 mol 155 unq 0 iso 0 dist 9.38946 4.91785 7.29911 6.43582 12.8482 8.97626 7.36102 5.68272 5.36254 8.27726 numMergedOcc 0
35 mol 155 unq 1 iso 0 dist 7.39644 7.10286 5.36254 10.7829 8.27726 8.97626 11.5473 5.68272 7.29911 12.8482 numMergedOcc 0
36 mol 155 unq 2 iso 0 dist 7.36102 4.91785 5.36254 6.43582 8.27726 8.97626 9.38946 5.68272 7.29911 12.8482 numMergedOcc 0
37 mol 224 unq 0 iso 0 dist 8.19953 5.13732 5.73591 6.61986 10.7113 8.08349 11.5717 4.74813 8.55345 11.4491 numMergedOcc 0
38 mol 224 unq 1 iso 0 dist 8.19953 5.13732 5.73591 13.4025 11.4252 9.78218 11.5717 4.74813 8.55345 9.14568 numMergedOcc 0
39 mol 234 unq 0 iso 0 dist 6.16063 13.1872 9.11572 10.3625 5.56749 7.81215 13.2498 12.4341 9.49229 15.015 numMergedOcc 0
40 mol 234 unq 1 iso 0 dist 6.16063 13.1872 9.11572 10.3625 5.56749 7.81215 11.4691 10.9755 7.20293 12.1076 numMergedOcc 0
41 mol 234 unq 2 iso 0 dist 6.16063 13.1872 9.11572 11.0622 8.0608 5.64285 13.2498 12.4341 9.49229 5.34613 numMergedOcc 0
42 mol 234 unq 3 iso 0 dist 6.16063 13.1872 9.11572 11.0622 8.0608 5.64285 11.4691 10.9755 7.20293 6.29366 numMergedOcc 0
43 mol 238 unq 0 iso 0 dist 7.49471 12.7938 5.43613 11.0896 5.54325 6.99888 10.9946 6.34909 7.06768 10.0613 numMergedOcc 0
44 mol 238 unq 1 iso 0 dist 7.49471 12.7938 5.43613 6.22714 5.17471 9.08509 10.9946 6.34909 7.06768 5.03393 numMergedOcc 0
45 mol 238 unq 2 iso 0 dist 7.19008 11.0772 5.43613 11.5794 5.54325 6.99888 11.3465 6.34909 7.06768 10.0613 numMergedOcc 0
46 mol 238 unq 3 iso 0 dist 7.19008 11.0772 5.43613 7.31233 5.17471 9.08509 11.3465 6.34909 7.06768 5.03393 numMergedOcc 0
