0 mol 0 unq 0 iso 0 dist 7.65806 9.72725 6.0225 9.64573 9.19007 6.94943 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.41585 9.87885 12.8323 10.2446 7.88043 8.15894 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.41585 9.87885 12.8323 12.3097 8.80762 8.45544 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 7.10621 6.1206 7.12508 5.44992 5.72491 8.15894 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 7.10621 6.1206 7.12508 4.74523 9.67579 8.45544 numMergedOcc 0
5 mol 8 unq 0 iso 0 dist 9.62879 9.01112 7.12261 7.17012 11.2076 8.83742 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 8.57077 5.8245 5.84314 3.98483 9.78006 7.05919 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.86014 7.95042 5.69214 6.58998 10.7114 8.24948 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 8.86116 7.95042 5.11636 6.58998 6.72502 8.24948 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 7.36323 7.27472 5.50396 10.0655 11.9933 7.96195 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 5.73819 6.75943 4.96926 5.48048 8.44903 7.15901 numMergedOcc 0
11 mol 43 unq 1 iso 0 dist 5.73819 6.66407 5.07458 5.64171 8.60739 7.24352 numMergedOcc 0
12 mol 43 unq 2 iso 0 dist 8.80331 6.6263 5.41726 7.05402 10.0649 7.15901 numMergedOcc 0
13 mol 43 unq 3 iso 0 dist 6.20293 6.75943 5.41726 5.48048 10.0649 7.15901 numMergedOcc 0
14 mol 43 unq 4 iso 0 dist 8.93915 6.75943 10.0383 5.48048 13.5072 7.15901 numMergedOcc 0
15 mol 56 unq 0 iso 0 dist 8.66265 9.03564 6.75591 10.1082 12.6652 7.06146 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 6.64012 9.08221 4.00553 6.37648 7.27383 6.87028 numMergedOcc 0
17 mol 58 unq 1 iso 0 dist 9.4099 9.08221 8.55984 6.37648 12.5444 6.87028 numMergedOcc 0
18 mol 88 unq 0 iso 0 dist 9.36773 7.80898 12.1193 5.31226 12.1018 8.72458 numMergedOcc 0
19 mol 92 unq 0 iso 0 dist 9.33898 7.06939 4.3481 6.08245 6.61823 6.9223 numMergedOcc 0
20 mol 92 unq 1 iso 0 dist 9.33898 7.06939 4.3481 6.86728 6.49956 7.0561 numMergedOcc 0
21 mol 92 unq 2 iso 0 dist 9.64443 9.36001 5.31547 7.24315 6.61823 6.98037 numMergedOcc 0
22 mol 95 unq 0 iso 0 dist 7.27724 9.3948 3.94537 14.484 9.7126 7.27506 numMergedOcc 0
23 mol 95 unq 1 iso 0 dist 8.03644 9.3948 11.3215 14.484 18.067 7.27506 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 7.32662 7.26086 8.75597 numMergedOcc 0
25 mol 98 unq 1 iso 0 dist 5.08437 5.10496 3.9764 12.3881 12.285 9.18457 numMergedOcc 0
26 mol 98 unq 2 iso 0 dist 6.48948 5.92242 3.9764 13.4985 7.26086 8.75597 numMergedOcc 0
27 mol 98 unq 3 iso 0 dist 6.48948 5.92242 3.9764 7.89505 12.285 9.18457 numMergedOcc 0
28 mol 98 unq 4 iso 0 dist 6.10456 7.54889 10.4782 13.9572 15.6191 6.83746 numMergedOcc 0
29 mol 98 unq 5 iso 0 dist 6.10456 7.54889 10.4782 13.1975 12.285 9.14707 numMergedOcc 0
30 mol 98 unq 6 iso 0 dist 6.10456 5.2571 3.9764 6.934 7.26086 8.75597 numMergedOcc 0
31 mol 98 unq 7 iso 0 dist 6.10456 5.2571 3.9764 13.1975 12.285 9.18457 numMergedOcc 0
32 mol 112 unq 0 iso 0 dist 7.71338 8.47988 6.95317 8.56707 6.43433 4.99604 numMergedOcc 0
33 mol 115 unq 0 iso 0 dist 7.30858 6.04595 5.03039 5.61704 5.72642 8.4965 numMergedOcc 0
34 mol 119 unq 0 iso 0 dist 8.73993 7.64052 9.68677 3.78311 7.77116 9.57341 numMergedOcc 0
35 mol 119 unq 1 iso 0 dist 9.87172 6.99446 6.20019 4.99056 13.1741 9.57341 numMergedOcc 0
36 mol 119 unq 2 iso 0 dist 6.18601 8.95212 4.39676 13.52 12.6868 9.57341 numMergedOcc 0
37 mol 134 unq 0 iso 0 dist 8.94367 9.33094 7.41373 9.4027 8.20836 5.11043 numMergedOcc 0
38 mol 134 unq 1 iso 0 dist 6.37586 9.33094 10.8635 9.4027 10.873 5.11043 numMergedOcc 0
39 mol 134 unq 2 iso 0 dist 6.49416 9.33094 12.3479 9.4027 13.846 5.11043 numMergedOcc 0
40 mol 134 unq 3 iso 0 dist 9.86662 9.1998 12.8086 5.12325 8.20836 6.99345 numMergedOcc 0
41 mol 134 unq 4 iso 0 dist 9.86662 8.69531 7.41373 5.12325 8.20836 5.11043 numMergedOcc 0
42 mol 134 unq 5 iso 0 dist 9.71307 9.1998 15.0225 5.12325 10.873 6.99345 numMergedOcc 0
43 mol 134 unq 6 iso 0 dist 9.71307 8.69531 10.8635 5.12325 10.873 5.11043 numMergedOcc 0
44 mol 143 unq 0 iso 0 dist 5.99315 5.40637 7.39837 10.8441 13.4668 8.68663 numMergedOcc 0
45 mol 143 unq 1 iso 0 dist 5.99315 5.37047 4.78563 9.23795 7.25673 8.612 numMergedOcc 0
46 mol 152 unq 0 iso 0 dist 5.87555 6.70693 4.94983 5.59336 8.35555 7.1069 numMergedOcc 0
47 mol 152 unq 1 iso 0 dist 8.56324 6.59889 5.39112 7.2238 10.4911 7.1069 numMergedOcc 0
48 mol 152 unq 2 iso 0 dist 6.70283 6.70693 5.39112 5.59336 10.4911 7.1069 numMergedOcc 0
49 mol 152 unq 3 iso 0 dist 8.67331 6.70693 9.67475 5.59336 13.0858 7.1069 numMergedOcc 0
50 mol 170 unq 0 iso 0 dist 9.76807 9.51256 4.78249 7.72147 8.15099 5.13268 numMergedOcc 0
51 mol 178 unq 0 iso 0 dist 6.69288 7.06025 6.42973 10.1489 4.92088 8.25282 numMergedOcc 0
52 mol 205 unq 0 iso 0 dist 6.03031 6.52816 9.49403 5.54129 10.8209 7.53395 numMergedOcc 0
53 mol 205 unq 1 iso 0 dist 7.26832 6.52816 13.514 5.54129 10.0424 7.53395 numMergedOcc 0
54 mol 205 unq 2 iso 0 dist 7.80463 6.52816 3.56269 5.54129 10.03 7.53395 numMergedOcc 0
55 mol 222 unq 0 iso 0 dist 6.00706 6.74196 8.84507 6.42798 7.862 7.97027 numMergedOcc 0
56 mol 222 unq 1 iso 0 dist 6.00706 8.36842 6.02502 6.42798 7.862 4.9876 numMergedOcc 0
57 mol 222 unq 2 iso 0 dist 7.54212 6.74196 12.8595 6.42798 12.5287 7.97027 numMergedOcc 0
58 mol 222 unq 3 iso 0 dist 7.54212 8.36842 12.5866 6.42798 12.5287 4.9876 numMergedOcc 0
59 mol 224 unq 0 iso 0 dist 6.61986 8.08349 5.13732 4.59567 8.37597 8.54702 numMergedOcc 0
60 mol 227 unq 0 iso 0 dist 7.22101 5.23634 5.0317 10.5813 8.03442 9.43618 numMergedOcc 0
61 mol 227 unq 1 iso 0 dist 8.65997 6.91318 5.0317 7.22396 8.03442 9.43618 numMergedOcc 0
62 mol 227 unq 2 iso 0 dist 7.09863 5.23634 5.83175 10.5813 12.2278 9.43618 numMergedOcc 0
63 mol 234 unq 0 iso 0 dist 9.45496 7.81215 12.4252 11.113 18.9709 9.08151 numMergedOcc 0
64 mol 234 unq 1 iso 0 dist 6.7625 7.81215 5.75498 11.113 11.968 9.08151 numMergedOcc 0
65 mol 238 unq 0 iso 0 dist 5.72887 9.72188 7.06793 10.7551 11.2809 6.53286 numMergedOcc 0
66 mol 238 unq 1 iso 0 dist 7.31233 9.12776 10.3162 11.0349 11.9624 6.53286 numMergedOcc 0
67 mol 239 unq 0 iso 0 dist 6.16342 6.73665 10.6736 13.1624 18.6283 8.88763 numMergedOcc 0
68 mol 239 unq 1 iso 0 dist 6.16342 6.73665 10.6736 7.34872 13.3923 6.43209 numMergedOcc 0
69 mol 239 unq 2 iso 0 dist 6.16342 6.73665 10.6736 8.9361 13.1682 8.48769 numMergedOcc 0
70 mol 252 unq 0 iso 0 dist 7.19638 7.15764 7.40852 13.9054 10.7615 9.39658 numMergedOcc 0
71 mol 252 unq 1 iso 0 dist 7.19638 7.15764 7.40852 7.63376 7.50201 5.9974 numMergedOcc 0
72 mol 264 unq 0 iso 0 dist 9.17653 8.29262 10.7813 9.37297 15.2775 6.02757 numMergedOcc 0
