0 mol 25 unq 0 iso 0 dist 6.23095 11.5983 6.03987 7.40735 7.685 10.3635 9.39274 4.77954 7.99919 12.201 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 6.68311 15.0607 9.96708 13.1473 6.77912 7.11552 12.0518 5.69391 9.55118 5.4605 numMergedOcc 0
2 mol 72 unq 1 iso 0 dist 6.68311 15.0607 9.96708 13.1473 6.77912 7.11552 19.2494 13.4212 9.10345 10.8476 numMergedOcc 0
3 mol 72 unq 2 iso 0 dist 6.7212 11.6369 9.96708 5.00053 7.321 9.0131 8.16985 7.47371 7.12321 9.14817 numMergedOcc 0
4 mol 72 unq 3 iso 0 dist 6.7212 6.12361 9.78528 5.00053 7.321 6.11922 8.16985 7.47371 6.21799 9.14817 numMergedOcc 0
5 mol 72 unq 4 iso 0 dist 6.7212 6.12361 9.78528 5.00053 7.321 6.11922 7.81344 9.67587 5.03251 9.76686 numMergedOcc 0
6 mol 72 unq 5 iso 0 dist 6.7212 6.12361 9.78528 5.00053 7.321 6.11922 5.49421 7.07356 7.66093 9.437 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 6.56728 13.5384 7.66905 8.46482 7.22293 11.6116 11.6278 5.59906 7.7068 10.7558 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 5.70279 5.92158 7.47343 11.8754 7.75343 15.209 8.38273 5.9143 7.82475 11.3652 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 5.70279 5.92158 7.47343 11.8754 7.75343 15.209 5.30117 5.47563 5.35782 12.1809 numMergedOcc 0
10 mol 100 unq 2 iso 0 dist 5.70279 5.85449 6.65086 11.8754 7.75343 10.9608 10.7785 6.23008 8.91882 10.259 numMergedOcc 0
11 mol 109 unq 0 iso 0 dist 8.84523 14.7654 8.69985 5.38332 5.87358 9.46098 13.0202 5.00433 8.52024 9.74008 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 7.266 9.66954 6.09023 13.829 6.95773 6.24825 10.8109 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 8.97043 11.8721 9.33865 11.6637 7.64585 10.2377 13.829 6.95773 6.24825 7.65255 numMergedOcc 0
14 mol 117 unq 0 iso 0 dist 7.0318 5.21051 7.90328 5.70073 6.62561 4.91401 11.6159 7.20875 8.84018 9.94053 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 10.06 9.63176 10.6679 14.8889 9.68677 7.64052 9.08536 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 7.26771 5.42582 5.41704 15.3301 10.8635 9.33094 11.7151 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 7.27598 12.0971 9.71307 7.26771 5.42582 6.17103 17.5459 15.0225 9.1998 14.0978 numMergedOcc 0
18 mol 134 unq 2 iso 0 dist 7.27598 12.0971 9.71307 7.26771 5.42582 6.17103 15.3301 10.8635 8.69531 11.7151 numMergedOcc 0
19 mol 134 unq 3 iso 0 dist 5.57904 6.50005 6.49416 7.26771 8.6355 5.41704 15.3301 12.3479 9.33094 11.7151 numMergedOcc 0
20 mol 155 unq 0 iso 0 dist 5.68636 7.92939 6.43582 7.441 9.38946 12.8482 8.14405 4.91785 8.97626 7.29911 numMergedOcc 0
21 mol 155 unq 1 iso 0 dist 5.68636 7.92939 6.43582 6.79302 7.36102 8.27726 8.14405 4.91785 8.97626 5.36254 numMergedOcc 0
22 mol 222 unq 0 iso 0 dist 5.47561 5.60111 7.21333 11.3364 6.82208 12.2813 8.51427 6.84862 5.56538 11.8745 numMergedOcc 0
23 mol 222 unq 1 iso 0 dist 5.47561 5.60111 7.21333 11.3364 6.82208 12.2813 11.6182 9.53117 7.48954 12.9858 numMergedOcc 0
24 mol 222 unq 2 iso 0 dist 8.5834 5.01062 7.54212 4.78647 7.18956 7.61682 11.2674 12.8595 6.74196 14.2305 numMergedOcc 0
25 mol 222 unq 3 iso 0 dist 8.5834 5.01062 7.54212 4.78647 7.18956 7.61682 10.656 12.5866 8.36842 14.562 numMergedOcc 0
26 mol 222 unq 4 iso 0 dist 8.5834 5.01062 7.54212 4.78647 7.18956 7.61682 12.4834 11.9567 9.75472 15.6152 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 9.73411 9.81806 6.57273 9.9234 6.87664 7.12232 5.31916 7.05804 8.79428 10.8888 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 9.73411 5.99647 5.78342 9.9234 6.87664 5.3621 5.31916 7.05804 6.8692 10.8888 numMergedOcc 0
29 mol 224 unq 2 iso 0 dist 7.07564 10.8463 6.57273 4.92261 6.87664 7.12232 11.6723 7.05804 8.79428 10.8888 numMergedOcc 0
30 mol 224 unq 3 iso 0 dist 7.07564 5.44863 5.78342 4.92261 6.87664 5.3621 11.6723 7.05804 6.8692 10.8888 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 4.87108 7.45873 6.22714 5.61491 7.49471 5.17471 10.7584 12.7938 9.08509 5.43613 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 7.64276 7.45873 7.31233 13.9044 6.55759 10.4664 10.7584 11.0772 9.08509 14.4363 numMergedOcc 0
33 mol 238 unq 2 iso 0 dist 7.64276 7.45873 7.31233 13.3748 7.02475 11.2717 10.7584 11.0772 9.08509 10.529 numMergedOcc 0
34 mol 238 unq 3 iso 0 dist 7.64276 7.45873 7.31233 11.6924 7.67322 12.6986 10.7584 11.0772 9.08509 9.99105 numMergedOcc 0
35 mol 238 unq 4 iso 0 dist 7.64276 7.45873 7.31233 5.61491 7.19008 5.17471 10.7584 11.0772 9.08509 5.43613 numMergedOcc 0
36 mol 238 unq 5 iso 0 dist 6.54455 5.17954 6.22714 6.74728 7.49471 5.17471 11.2947 12.7938 9.08509 5.43613 numMergedOcc 0
37 mol 259 unq 0 iso 0 dist 8.57619 5.43184 5.30224 5.4536 8.37865 5.31048 9.2885 4.04513 8.03219 8.84648 numMergedOcc 0
38 mol 259 unq 1 iso 0 dist 8.57619 5.43184 5.30224 5.4536 8.37865 5.31048 10.5384 7.09907 6.9899 6.23661 numMergedOcc 0
