0 mol 16 unq 0 iso 0 dist 6.32791 5.28404 4.7319 11.1182 7.65889 6.86055 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.34277 5.55893 5.04899 4.68147 7.05196 6.47509 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.40763 6.7276 5.04899 9.41688 7.05196 6.47509 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 8.46842 13.3513 7.57578 5.03904 4.79873 10.2864 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 8.46842 13.3513 7.57578 16.8735 9.48085 5.18617 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 8.46842 14.4516 7.17969 5.03904 4.79873 11.4148 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 8.46842 14.4516 7.17969 16.8735 9.48085 5.68041 numMergedOcc 0
7 mol 25 unq 6 iso 0 dist 8.50987 6.44262 6.03987 9.55844 7.99919 4.77954 numMergedOcc 0
8 mol 45 unq 0 iso 0 dist 6.96797 5.84852 7.2846 4.4519 9.33906 6.42339 numMergedOcc 0
9 mol 45 unq 1 iso 0 dist 6.96797 6.5822 7.58835 4.4519 9.33906 5.1274 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 6.47132 9.86595 7.17396 6.13703 6.56212 7.31539 numMergedOcc 0
11 mol 59 unq 1 iso 0 dist 6.47132 10.2137 9.21998 6.13703 6.56212 11.1607 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 7.09258 10.0936 9.78528 7.54321 6.21799 7.47371 numMergedOcc 0
13 mol 72 unq 1 iso 0 dist 7.09258 10.0936 9.78528 5.2819 5.03251 9.67587 numMergedOcc 0
14 mol 72 unq 2 iso 0 dist 7.09258 10.0936 9.78528 3.53164 7.66093 7.07356 numMergedOcc 0
15 mol 76 unq 0 iso 0 dist 7.36475 5.66392 6.97941 8.41297 9.6952 8.66662 numMergedOcc 0
16 mol 95 unq 0 iso 0 dist 6.5136 7.08612 7.27724 5.9335 9.3948 3.94537 numMergedOcc 0
17 mol 95 unq 1 iso 0 dist 6.5136 7.08612 7.27724 9.88003 9.74607 6.12605 numMergedOcc 0
18 mol 95 unq 2 iso 0 dist 6.5136 11.085 8.03644 5.9335 9.3948 11.3215 numMergedOcc 0
19 mol 95 unq 3 iso 0 dist 6.5136 11.085 8.03644 9.88003 9.74607 5.06946 numMergedOcc 0
20 mol 112 unq 0 iso 0 dist 9.13413 9.79513 7.71338 11.7536 8.47988 6.95317 numMergedOcc 0
21 mol 112 unq 1 iso 0 dist 9.13413 9.79513 7.71338 5.8662 8.0427 7.57713 numMergedOcc 0
22 mol 117 unq 0 iso 0 dist 8.98848 14.6144 7.90328 10.1153 8.84018 7.20875 numMergedOcc 0
23 mol 117 unq 1 iso 0 dist 8.98848 10.0436 7.83136 10.1153 8.84018 3.77029 numMergedOcc 0
24 mol 117 unq 2 iso 0 dist 8.98848 6.81312 7.0603 10.1153 8.84018 5.21535 numMergedOcc 0
25 mol 129 unq 0 iso 0 dist 6.1421 7.86921 8.54584 5.75588 5.51197 12.1739 numMergedOcc 0
26 mol 129 unq 1 iso 0 dist 6.1421 7.86921 8.54584 4.18263 8.86944 5.63254 numMergedOcc 0
27 mol 129 unq 2 iso 0 dist 6.1421 7.86921 8.54584 3.82645 6.69691 8.26896 numMergedOcc 0
28 mol 129 unq 3 iso 0 dist 9.54663 6.95124 8.54584 11.0564 5.51197 12.1739 numMergedOcc 0
29 mol 129 unq 4 iso 0 dist 9.54663 6.95124 8.54584 7.22602 8.86944 5.63254 numMergedOcc 0
30 mol 129 unq 5 iso 0 dist 9.54663 6.95124 8.54584 5.71616 6.69691 8.26896 numMergedOcc 0
31 mol 131 unq 0 iso 0 dist 7.49404 7.91807 8.40312 7.08715 9.27976 3.98662 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 9.45717 4.28997 6.82262 5.815 9.05342 4.88025 numMergedOcc 0
33 mol 133 unq 1 iso 0 dist 7.85025 4.26332 6.29155 13.4842 8.77023 13.0405 numMergedOcc 0
34 mol 133 unq 2 iso 0 dist 7.85025 11.5948 6.80239 13.4842 8.77023 13.7612 numMergedOcc 0
35 mol 133 unq 3 iso 0 dist 7.85025 13.8058 8.00618 13.4842 8.77023 15.0115 numMergedOcc 0
36 mol 182 unq 0 iso 0 dist 7.21035 8.27436 9.31746 4.16926 9.56028 8.82964 numMergedOcc 0
37 mol 186 unq 0 iso 0 dist 5.47189 5.48717 7.54065 6.7954 6.61112 11.0961 numMergedOcc 0
38 mol 204 unq 0 iso 0 dist 9.65951 11.5989 7.10633 4.51957 7.9133 10.7169 numMergedOcc 0
39 mol 204 unq 1 iso 0 dist 9.65951 9.99471 8.51516 4.51957 7.9133 5.57347 numMergedOcc 0
40 mol 204 unq 2 iso 0 dist 9.14829 6.73339 7.10633 9.9552 7.9133 10.7169 numMergedOcc 0
41 mol 204 unq 3 iso 0 dist 9.14829 13.2127 8.51516 9.9552 7.9133 5.57347 numMergedOcc 0
42 mol 214 unq 0 iso 0 dist 9.33638 15.9383 9.65138 10.2403 7.46481 11.4955 numMergedOcc 0
43 mol 214 unq 1 iso 0 dist 9.33638 7.31241 7.14453 10.2403 7.46481 8.459 numMergedOcc 0
44 mol 214 unq 2 iso 0 dist 9.33638 17.0758 8.85478 10.2403 7.46481 11.1534 numMergedOcc 0
45 mol 220 unq 0 iso 0 dist 5.07968 4.58603 9.41367 4.49605 8.2123 4.49451 numMergedOcc 0
46 mol 229 unq 0 iso 0 dist 9.68636 10.705 8.22528 9.76444 7.27993 5.70473 numMergedOcc 0
47 mol 229 unq 1 iso 0 dist 9.68636 5.6419 7.03423 9.76444 7.27993 7.22525 numMergedOcc 0
48 mol 232 unq 0 iso 0 dist 6.94983 5.08111 8.27212 7.30782 6.71524 5.10213 numMergedOcc 0
49 mol 234 unq 0 iso 0 dist 7.17987 14.7629 9.45496 12.4759 7.81215 12.4252 numMergedOcc 0
50 mol 234 unq 1 iso 0 dist 7.17987 13.5847 6.7625 12.4759 7.81215 5.75498 numMergedOcc 0
51 mol 236 unq 0 iso 0 dist 6.67907 5.81354 8.04248 7.15922 8.23087 4.66414 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 9.09166 6.74773 6.22714 17.7087 9.08509 12.7938 numMergedOcc 0
53 mol 238 unq 1 iso 0 dist 9.09166 9.48707 7.31233 17.7087 9.08509 11.0772 numMergedOcc 0
54 mol 259 unq 0 iso 0 dist 9.89728 5.07898 7.46176 13.7396 5.85442 10.067 numMergedOcc 0
55 mol 259 unq 1 iso 0 dist 9.89728 5.07898 7.46176 15.7491 6.95511 11.6988 numMergedOcc 0
56 mol 264 unq 0 iso 0 dist 6.20796 6.9758 9.17653 4.66338 8.29262 10.7813 numMergedOcc 0
57 mol 264 unq 1 iso 0 dist 7.73693 5.00433 9.17653 10.3972 8.29262 10.7813 numMergedOcc 0
58 mol 276 unq 0 iso 0 dist 6.97104 12.2532 9.8993 9.98339 8.6759 9.39944 numMergedOcc 0
59 mol 276 unq 1 iso 0 dist 6.97104 5.58984 6.87396 9.98339 8.6759 8.26321 numMergedOcc 0
60 mol 276 unq 2 iso 0 dist 8.63281 12.388 9.8993 7.37489 8.6759 9.39944 numMergedOcc 0
61 mol 276 unq 3 iso 0 dist 8.63281 6.58819 6.87396 7.37489 8.6759 8.26321 numMergedOcc 0
62 mol 277 unq 0 iso 0 dist 6.86014 4.83355 9.7748 11.4058 9.35539 11.4555 numMergedOcc 0
63 mol 277 unq 1 iso 0 dist 6.86014 4.83355 9.7748 14.6762 8.9682 17.6038 numMergedOcc 0
64 mol 277 unq 2 iso 0 dist 6.86014 4.83355 9.7748 11.68 6.92711 14.772 numMergedOcc 0
65 mol 277 unq 3 iso 0 dist 5.97073 11.2857 9.7748 6.9003 9.35539 11.4555 numMergedOcc 0
66 mol 277 unq 4 iso 0 dist 5.97073 11.2857 9.7748 11.3103 8.9682 17.6038 numMergedOcc 0
67 mol 277 unq 5 iso 0 dist 5.97073 11.2857 9.7748 10.5734 6.92711 14.772 numMergedOcc 0
68 mol 277 unq 6 iso 0 dist 6.49176 14.4976 9.7748 11.7592 9.35539 11.4555 numMergedOcc 0
69 mol 277 unq 7 iso 0 dist 6.49176 14.4976 9.7748 6.40883 8.9682 17.6038 numMergedOcc 0
70 mol 277 unq 8 iso 0 dist 6.49176 14.4976 9.7748 6.79352 6.92711 14.772 numMergedOcc 0
71 mol 292 unq 0 iso 0 dist 6.87804 11.634 8.2734 4.77692 7.20674 7.8414 numMergedOcc 0
72 mol 292 unq 1 iso 0 dist 6.87804 11.634 8.2734 6.38012 8.38121 14.179 numMergedOcc 0
73 mol 292 unq 2 iso 0 dist 6.07571 8.66797 8.2734 11.6413 7.20674 7.8414 numMergedOcc 0
74 mol 292 unq 3 iso 0 dist 6.07571 8.66797 8.2734 14.3549 8.38121 14.179 numMergedOcc 0
