0 mol 0 unq 0 iso 0 dist 7.20999 5.56011 7.65806 11.0785 6.0225 9.72725 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.15434 11.2706 7.10621 13.6482 7.12508 6.1206 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.15434 11.2706 7.10621 17.5841 11.143 7.67927 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 8.60571 10.9516 9.58196 13.0019 5.76302 8.84686 numMergedOcc 0
4 mol 16 unq 0 iso 0 dist 8.59049 5.70228 4.7319 6.21616 6.86055 7.65889 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 11.6434 5.11636 7.95042 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 6.23095 11.5983 6.03987 9.39274 4.77954 7.99919 numMergedOcc 0
7 mol 25 unq 1 iso 0 dist 9.22151 4.96681 7.57578 9.55662 10.2864 4.79873 numMergedOcc 0
8 mol 25 unq 2 iso 0 dist 9.22151 4.96681 7.57578 9.95169 5.18617 9.48085 numMergedOcc 0
9 mol 25 unq 3 iso 0 dist 6.22122 4.96681 7.17969 9.55662 11.4148 4.79873 numMergedOcc 0
10 mol 25 unq 4 iso 0 dist 6.22122 4.96681 7.17969 9.95169 5.68041 9.48085 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 6.68311 15.0607 9.96708 12.0518 5.69391 9.55118 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 6.68311 15.0607 9.96708 19.2494 13.4212 9.10345 numMergedOcc 0
13 mol 72 unq 2 iso 0 dist 6.7212 11.6369 9.96708 8.16985 7.47371 7.12321 numMergedOcc 0
14 mol 72 unq 3 iso 0 dist 6.7212 6.12361 9.78528 8.16985 7.47371 6.21799 numMergedOcc 0
15 mol 72 unq 4 iso 0 dist 6.7212 6.12361 9.78528 7.81344 9.67587 5.03251 numMergedOcc 0
16 mol 72 unq 5 iso 0 dist 6.7212 6.12361 9.78528 5.49421 7.07356 7.66093 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 6.56728 13.5384 7.66905 11.6278 5.59906 7.7068 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 9.55337 3.9764 5.10496 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 8.05602 4.72129 6.48948 9.55337 3.9764 5.92242 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 8.05602 4.72129 6.48948 4.79891 7.03983 7.02507 numMergedOcc 0
21 mol 98 unq 3 iso 0 dist 8.05602 12.0339 6.10456 15.2414 10.4782 7.54889 numMergedOcc 0
22 mol 98 unq 4 iso 0 dist 8.05602 12.0339 6.10456 9.55337 3.9764 5.2571 numMergedOcc 0
23 mol 100 unq 0 iso 0 dist 8.96916 5.92158 6.45675 8.38273 5.43561 7.82475 numMergedOcc 0
24 mol 100 unq 1 iso 0 dist 8.96916 5.92158 6.45675 5.30117 6.30222 5.35782 numMergedOcc 0
25 mol 100 unq 2 iso 0 dist 5.70279 5.92158 7.47343 8.38273 5.9143 7.82475 numMergedOcc 0
26 mol 100 unq 3 iso 0 dist 5.70279 5.92158 7.47343 5.30117 5.47563 5.35782 numMergedOcc 0
27 mol 100 unq 4 iso 0 dist 5.70279 5.85449 6.65086 10.7785 6.23008 8.91882 numMergedOcc 0
28 mol 109 unq 0 iso 0 dist 8.84523 14.7654 8.69985 13.0202 5.00433 8.52024 numMergedOcc 0
29 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 13.829 6.95773 6.24825 numMergedOcc 0
30 mol 117 unq 0 iso 0 dist 8.81172 5.34484 9.84395 8.54233 6.57678 6.10127 numMergedOcc 0
31 mol 117 unq 1 iso 0 dist 7.0318 5.21051 7.90328 11.6159 7.20875 8.84018 numMergedOcc 0
32 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 14.8889 9.68677 7.64052 numMergedOcc 0
33 mol 129 unq 0 iso 0 dist 6.23966 6.65856 5.83384 11.3401 9.00231 5.58833 numMergedOcc 0
34 mol 133 unq 0 iso 0 dist 9.79004 7.33132 8.22656 4.79003 6.9945 7.22643 numMergedOcc 0
35 mol 133 unq 1 iso 0 dist 8.43069 7.33132 6.82262 4.79003 4.19723 7.22643 numMergedOcc 0
36 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 15.3301 10.8635 9.33094 numMergedOcc 0
37 mol 134 unq 1 iso 0 dist 7.27598 12.0971 9.71307 17.5459 15.0225 9.1998 numMergedOcc 0
38 mol 134 unq 2 iso 0 dist 7.27598 12.0971 9.71307 15.3301 10.8635 8.69531 numMergedOcc 0
39 mol 134 unq 3 iso 0 dist 5.57904 6.50005 6.49416 15.3301 12.3479 9.33094 numMergedOcc 0
40 mol 142 unq 0 iso 0 dist 7.15087 8.68855 9.2313 5.90339 4.67662 7.81207 numMergedOcc 0
41 mol 142 unq 1 iso 0 dist 7.15087 8.68855 9.2313 15.501 13.5913 7.18002 numMergedOcc 0
42 mol 142 unq 2 iso 0 dist 7.15087 5.50176 5.31024 5.90339 4.67662 6.14151 numMergedOcc 0
43 mol 155 unq 0 iso 0 dist 5.68636 7.92939 6.43582 8.14405 4.91785 8.97626 numMergedOcc 0
44 mol 186 unq 0 iso 0 dist 5.16813 8.61343 7.54065 12.6239 11.0961 6.61112 numMergedOcc 0
45 mol 205 unq 0 iso 0 dist 6.15806 10.6362 7.26832 16.3573 13.514 6.52816 numMergedOcc 0
46 mol 222 unq 0 iso 0 dist 5.47561 5.60111 7.21333 8.51427 6.84862 5.56538 numMergedOcc 0
47 mol 222 unq 1 iso 0 dist 5.47561 5.60111 7.21333 11.6182 9.53117 7.48954 numMergedOcc 0
48 mol 222 unq 2 iso 0 dist 8.7419 5.01062 6.00706 11.2674 8.84507 6.74196 numMergedOcc 0
49 mol 222 unq 3 iso 0 dist 8.7419 5.01062 6.00706 10.656 6.02502 8.36842 numMergedOcc 0
50 mol 222 unq 4 iso 0 dist 8.7419 5.01062 6.00706 12.4834 5.18677 9.75472 numMergedOcc 0
51 mol 222 unq 5 iso 0 dist 8.5834 5.01062 7.54212 11.2674 12.8595 6.74196 numMergedOcc 0
52 mol 222 unq 6 iso 0 dist 8.5834 5.01062 7.54212 10.656 12.5866 8.36842 numMergedOcc 0
53 mol 222 unq 7 iso 0 dist 8.5834 5.01062 7.54212 12.4834 11.9567 9.75472 numMergedOcc 0
54 mol 224 unq 0 iso 0 dist 9.73411 9.81806 6.57273 5.31916 7.05804 8.79428 numMergedOcc 0
55 mol 224 unq 1 iso 0 dist 9.73411 5.99647 5.78342 5.31916 7.05804 6.8692 numMergedOcc 0
56 mol 224 unq 2 iso 0 dist 7.75485 5.99647 5.81334 5.31916 4.54188 6.8692 numMergedOcc 0
57 mol 224 unq 3 iso 0 dist 7.07564 10.8463 6.57273 11.6723 7.05804 8.79428 numMergedOcc 0
58 mol 224 unq 4 iso 0 dist 7.07564 5.44863 5.78342 11.6723 7.05804 6.8692 numMergedOcc 0
59 mol 224 unq 5 iso 0 dist 9.11052 5.44863 5.81334 11.6723 4.54188 6.8692 numMergedOcc 0
60 mol 229 unq 0 iso 0 dist 8.8557 5.65373 8.22528 10.3383 5.70473 7.27993 numMergedOcc 0
61 mol 229 unq 1 iso 0 dist 5.00457 5.65373 7.03423 10.3383 7.22525 7.27993 numMergedOcc 0
62 mol 238 unq 0 iso 0 dist 4.87108 7.45873 6.22714 10.7584 12.7938 9.08509 numMergedOcc 0
63 mol 238 unq 1 iso 0 dist 7.64276 7.45873 7.31233 10.7584 11.0772 9.08509 numMergedOcc 0
64 mol 238 unq 2 iso 0 dist 6.54455 5.17954 6.22714 11.2947 12.7938 9.08509 numMergedOcc 0
65 mol 239 unq 0 iso 0 dist 8.61729 7.02319 6.16342 11.7534 10.6736 6.73665 numMergedOcc 0
66 mol 259 unq 0 iso 0 dist 5.75874 5.20592 8.53687 6.95658 6.73882 9.07743 numMergedOcc 0
67 mol 259 unq 1 iso 0 dist 8.57619 5.43184 5.30224 9.2885 4.04513 8.03219 numMergedOcc 0
68 mol 259 unq 2 iso 0 dist 8.57619 5.43184 5.30224 10.5384 7.09907 6.9899 numMergedOcc 0
69 mol 276 unq 0 iso 0 dist 8.79189 6.33662 6.87396 8.51449 8.26321 8.6759 numMergedOcc 0
70 mol 280 unq 0 iso 0 dist 8.80588 8.30978 6.53701 6.16546 4.90315 6.02353 numMergedOcc 0
71 mol 280 unq 1 iso 0 dist 8.80588 5.80223 6.0664 6.16546 4.90315 6.86234 numMergedOcc 0
