0 mol 0 unq 0 iso 0 dist 7.65806 9.19007 9.64573 6.0225 9.72725 6.94943 numMergedOcc 0
1 mol 1 unq 0 iso 0 dist 9.00903 6.09918 7.94662 4.50502 10.8992 7.27254 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 12.8323 9.87885 8.15894 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 12.8323 9.87885 8.45544 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 7.10621 5.72491 5.44992 7.12508 6.1206 8.15894 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 8.57077 9.78006 3.98483 5.84314 5.8245 7.05919 numMergedOcc 0
6 mol 24 unq 0 iso 0 dist 8.86116 6.72502 6.58998 5.11636 7.95042 8.24948 numMergedOcc 0
7 mol 24 unq 1 iso 0 dist 8.38394 6.72502 6.59374 5.11636 10.9819 8.24948 numMergedOcc 0
8 mol 26 unq 0 iso 0 dist 8.34347 8.44506 13.2876 7.11305 14.8317 6.38243 numMergedOcc 0
9 mol 26 unq 1 iso 0 dist 8.34347 5.69955 10.6756 8.25132 13.6027 6.73167 numMergedOcc 0
10 mol 26 unq 2 iso 0 dist 8.34347 5.69955 10.6756 4.94205 12.8365 7.40948 numMergedOcc 0
11 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 5.07458 6.66407 7.24352 numMergedOcc 0
12 mol 43 unq 1 iso 0 dist 5.73819 8.44903 5.48048 4.96926 6.75943 7.15901 numMergedOcc 0
13 mol 43 unq 2 iso 0 dist 8.80331 9.93832 9.06158 10.8828 10.0168 7.24352 numMergedOcc 0
14 mol 43 unq 3 iso 0 dist 6.20293 8.60739 9.06158 5.07458 10.0168 7.24352 numMergedOcc 0
15 mol 43 unq 4 iso 0 dist 8.93915 8.60739 11.3891 5.07458 10.9975 7.24352 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 6.64012 7.27383 6.37648 4.00553 9.08221 6.87028 numMergedOcc 0
17 mol 59 unq 0 iso 0 dist 7.17396 8.64015 11.0904 6.08003 12.4823 7.17026 numMergedOcc 0
18 mol 59 unq 1 iso 0 dist 9.21998 8.64015 12.9211 6.08003 13.2239 7.17026 numMergedOcc 0
19 mol 92 unq 0 iso 0 dist 9.33898 6.61823 6.08245 5.31547 10.9241 6.98037 numMergedOcc 0
20 mol 92 unq 1 iso 0 dist 9.33898 6.61823 6.08245 4.3481 7.06939 6.9223 numMergedOcc 0
21 mol 92 unq 2 iso 0 dist 9.33898 6.49956 6.86728 4.3481 7.06939 7.0561 numMergedOcc 0
22 mol 92 unq 3 iso 0 dist 9.64443 6.61823 7.24315 5.31547 9.36001 6.98037 numMergedOcc 0
23 mol 92 unq 4 iso 0 dist 9.64443 6.61823 7.24315 4.3481 12.4681 6.9223 numMergedOcc 0
24 mol 92 unq 5 iso 0 dist 9.64443 6.49956 12.163 4.3481 12.4681 7.0561 numMergedOcc 0
25 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 3.9764 5.10496 8.75597 numMergedOcc 0
26 mol 98 unq 1 iso 0 dist 6.48948 7.26086 13.4985 3.9764 5.92242 8.75597 numMergedOcc 0
27 mol 98 unq 2 iso 0 dist 6.10456 7.26086 6.934 3.9764 5.2571 8.75597 numMergedOcc 0
28 mol 112 unq 0 iso 0 dist 7.71338 6.43433 8.56707 10.5563 13.5845 5.43933 numMergedOcc 0
29 mol 112 unq 1 iso 0 dist 7.71338 6.43433 8.56707 6.95317 8.47988 4.99604 numMergedOcc 0
30 mol 112 unq 2 iso 0 dist 7.71338 6.43433 8.56707 13.5094 18.1948 9.97483 numMergedOcc 0
31 mol 112 unq 3 iso 0 dist 7.71338 6.43433 8.56707 6.75738 13.1243 7.44041 numMergedOcc 0
32 mol 112 unq 4 iso 0 dist 9.60462 9.92283 17.3924 12.6108 19.476 5.43933 numMergedOcc 0
33 mol 112 unq 5 iso 0 dist 9.60462 9.92283 17.3924 10.9279 19.9429 4.99604 numMergedOcc 0
34 mol 112 unq 6 iso 0 dist 9.60462 9.92283 17.3924 13.764 19.2666 9.97483 numMergedOcc 0
35 mol 112 unq 7 iso 0 dist 9.60462 9.92283 17.3924 5.43385 10.2348 7.44041 numMergedOcc 0
36 mol 115 unq 0 iso 0 dist 7.30858 5.72642 5.61704 5.03039 6.04595 8.4965 numMergedOcc 0
37 mol 115 unq 1 iso 0 dist 5.83991 5.72642 6.4497 5.03039 10.5599 8.4965 numMergedOcc 0
38 mol 115 unq 2 iso 0 dist 7.88312 5.72642 7.3094 5.03039 11.8378 8.4965 numMergedOcc 0
39 mol 119 unq 0 iso 0 dist 8.73993 7.77116 3.78311 6.9194 12.31 9.6121 numMergedOcc 0
40 mol 119 unq 1 iso 0 dist 8.73993 7.77116 3.78311 9.68677 7.64052 9.57341 numMergedOcc 0
41 mol 126 unq 0 iso 0 dist 6.06638 9.46588 5.5703 10.7549 11.4624 8.66815 numMergedOcc 0
42 mol 130 unq 0 iso 0 dist 8.70949 8.33077 5.97111 7.21225 10.4778 6.5739 numMergedOcc 0
43 mol 131 unq 0 iso 0 dist 7.12972 6.92648 9.32969 8.57203 14.4508 6.78801 numMergedOcc 0
44 mol 131 unq 1 iso 0 dist 6.85062 9.29384 9.32969 12.6005 14.4508 6.78801 numMergedOcc 0
45 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 16.4114 14.3561 8.48313 numMergedOcc 0
46 mol 134 unq 1 iso 0 dist 8.94367 8.20836 9.4027 12.8086 11.0808 6.99345 numMergedOcc 0
47 mol 134 unq 2 iso 0 dist 8.94367 8.20836 9.4027 7.41373 9.33094 5.11043 numMergedOcc 0
48 mol 134 unq 3 iso 0 dist 9.86662 8.20836 5.12325 16.4114 9.71716 8.48313 numMergedOcc 0
49 mol 134 unq 4 iso 0 dist 9.86662 8.20836 5.12325 12.8086 9.1998 6.99345 numMergedOcc 0
50 mol 134 unq 5 iso 0 dist 9.86662 8.20836 5.12325 7.41373 8.69531 5.11043 numMergedOcc 0
51 mol 143 unq 0 iso 0 dist 5.99315 7.25673 9.23795 4.78563 5.37047 8.612 numMergedOcc 0
52 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 9.84297 10.4285 6.92726 numMergedOcc 0
53 mol 152 unq 1 iso 0 dist 5.87555 8.35555 5.59336 4.94983 6.70693 7.1069 numMergedOcc 0
54 mol 152 unq 2 iso 0 dist 8.87437 8.35555 10.9728 4.94983 10.4895 7.1069 numMergedOcc 0
55 mol 152 unq 3 iso 0 dist 8.56324 9.77552 9.35627 12.4535 14.437 6.92726 numMergedOcc 0
56 mol 152 unq 4 iso 0 dist 6.70283 8.28642 9.35627 9.84297 14.437 6.92726 numMergedOcc 0
57 mol 152 unq 5 iso 0 dist 8.67331 8.28642 11.2078 9.84297 15.2732 6.92726 numMergedOcc 0
58 mol 170 unq 0 iso 0 dist 9.76807 8.15099 7.72147 4.78249 9.51256 5.13268 numMergedOcc 0
59 mol 178 unq 0 iso 0 dist 6.69288 4.92088 10.1489 6.42973 7.06025 8.25282 numMergedOcc 0
60 mol 178 unq 1 iso 0 dist 6.43573 4.92088 8.27339 6.42973 10.0638 8.25282 numMergedOcc 0
61 mol 178 unq 2 iso 0 dist 7.17202 4.92088 9.79302 6.42973 13.2692 8.25282 numMergedOcc 0
62 mol 178 unq 3 iso 0 dist 8.81551 4.92088 8.65097 6.42973 15.0672 8.25282 numMergedOcc 0
63 mol 186 unq 0 iso 0 dist 9.09754 8.64409 9.97575 12.6058 17.9507 8.57801 numMergedOcc 0
64 mol 222 unq 0 iso 0 dist 6.00706 7.862 6.42798 8.84507 6.74196 7.97027 numMergedOcc 0
65 mol 222 unq 1 iso 0 dist 6.00706 7.862 6.42798 8.67203 11.4707 6.81955 numMergedOcc 0
66 mol 222 unq 2 iso 0 dist 6.00706 7.862 6.42798 6.02502 8.36842 4.9876 numMergedOcc 0
67 mol 224 unq 0 iso 0 dist 9.40098 8.37597 6.77927 5.13732 11.2501 8.54702 numMergedOcc 0
68 mol 224 unq 1 iso 0 dist 6.61986 8.37597 4.59567 5.13732 8.08349 8.54702 numMergedOcc 0
69 mol 227 unq 0 iso 0 dist 9.34734 8.03442 10.2525 5.0317 10.7855 9.43618 numMergedOcc 0
70 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 4.1511 9.91384 5.28771 numMergedOcc 0
71 mol 227 unq 2 iso 0 dist 7.22101 8.03442 10.5813 5.0317 5.23634 9.43618 numMergedOcc 0
72 mol 227 unq 3 iso 0 dist 8.65997 5.4694 11.0628 4.69247 9.91384 5.28771 numMergedOcc 0
73 mol 227 unq 4 iso 0 dist 8.65997 8.03442 7.22396 5.0317 6.91318 9.43618 numMergedOcc 0
74 mol 227 unq 5 iso 0 dist 7.56888 8.03442 6.10296 5.0317 11.2661 9.43618 numMergedOcc 0
75 mol 227 unq 6 iso 0 dist 7.55216 5.87815 10.6244 5.73883 12.2073 9.71916 numMergedOcc 0
76 mol 227 unq 7 iso 0 dist 7.55216 8.03442 9.69537 5.0317 12.3663 9.43618 numMergedOcc 0
77 mol 227 unq 8 iso 0 dist 7.09863 8.38865 12.9587 4.1511 10.3016 5.28771 numMergedOcc 0
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79 mol 229 unq 1 iso 0 dist 8.22528 8.92743 11.6847 11.9989 16.8118 7.63917 numMergedOcc 0
80 mol 229 unq 2 iso 0 dist 7.03423 8.92743 9.62106 11.0437 14.0816 6.42694 numMergedOcc 0
81 mol 229 unq 3 iso 0 dist 7.03423 8.92743 9.62106 11.9989 16.0361 7.63917 numMergedOcc 0
82 mol 229 unq 4 iso 0 dist 9.87838 5.77318 7.7339 7.46815 14.0538 6.42694 numMergedOcc 0
83 mol 229 unq 5 iso 0 dist 9.87838 5.77318 7.7339 5.37687 12.9844 7.63917 numMergedOcc 0
84 mol 230 unq 0 iso 0 dist 6.7547 6.41286 6.20661 9.70574 12.3973 7.07833 numMergedOcc 0
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86 mol 236 unq 1 iso 0 dist 7.68742 8.50331 9.05842 11.5307 16.07 9.14068 numMergedOcc 0
87 mol 236 unq 2 iso 0 dist 6.27581 8.50331 7.00028 11.5307 10.0129 9.14068 numMergedOcc 0
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89 mol 252 unq 1 iso 0 dist 8.1148 8.47784 5.89666 6.62402 10.6424 8.19529 numMergedOcc 0
90 mol 252 unq 2 iso 0 dist 8.1148 8.47784 5.89666 10.2463 11.0129 6.45396 numMergedOcc 0
91 mol 252 unq 3 iso 0 dist 8.1148 6.53679 11.056 5.6214 13.1298 5.9974 numMergedOcc 0
92 mol 252 unq 4 iso 0 dist 8.1715 6.11473 5.72783 5.6214 10.5687 9.39658 numMergedOcc 0
93 mol 252 unq 5 iso 0 dist 8.1715 8.47784 10.672 6.62402 14.0636 8.19529 numMergedOcc 0
94 mol 252 unq 6 iso 0 dist 8.1715 8.47784 10.672 10.2463 15.7955 6.45396 numMergedOcc 0
95 mol 252 unq 7 iso 0 dist 8.1715 6.53679 5.23748 5.6214 10.5687 5.9974 numMergedOcc 0
96 mol 252 unq 8 iso 0 dist 8.33025 7.50201 11.056 7.40852 13.1298 5.9974 numMergedOcc 0
97 mol 252 unq 9 iso 0 dist 9.2288 7.50201 5.23748 7.40852 10.5687 5.9974 numMergedOcc 0
98 mol 252 unq 10 iso 0 dist 7.19638 7.50201 7.63376 7.40852 7.15764 5.9974 numMergedOcc 0
99 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 13.2035 19.5824 7.14086 numMergedOcc 0
