0 mol 1 unq 0 iso 0 dist 9.00903 6.09918 7.94662 4.50502 10.8992 7.27254 10.488 13.3466 12.7486 6.86701 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 12.8323 9.87885 8.15894 12.2333 13.2247 5.44992 6.1206 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 12.8323 9.87885 8.45544 12.2333 13.2247 4.74523 6.1206 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 7.10621 5.72491 5.44992 7.12508 6.1206 8.15894 10.5461 13.2247 10.2446 9.87885 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.38394 6.72502 6.59374 5.11636 10.9819 8.24948 8.86116 6.44287 6.58998 7.95042 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 8.34347 8.44506 13.2876 7.11305 14.8317 6.38243 10.2542 12.875 5.30734 9.12845 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 5.73819 8.44903 5.48048 4.96926 6.75943 7.15901 10.5523 8.13395 7.05402 6.6263 numMergedOcc 0
7 mol 43 unq 1 iso 0 dist 8.80331 9.93832 9.06158 10.8828 10.0168 7.24352 10.5523 5.06502 5.64171 6.66407 numMergedOcc 0
8 mol 43 unq 2 iso 0 dist 6.20293 8.60739 9.06158 5.07458 10.0168 7.24352 5.73819 5.06502 5.64171 6.66407 numMergedOcc 0
9 mol 43 unq 3 iso 0 dist 8.93915 8.60739 11.3891 5.07458 10.9975 7.24352 5.73819 5.89973 5.64171 6.66407 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 6.64012 7.27383 6.37648 4.00553 9.08221 6.87028 10.3988 7.5247 7.40296 9.97769 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 6.64012 7.27383 6.37648 4.00553 9.08221 6.87028 11.221 10.0658 5.89202 9.32706 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 9.33898 6.61823 6.08245 5.31547 10.9241 6.98037 9.64443 13.1316 7.24315 9.36001 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 9.64443 6.61823 7.24315 4.3481 12.4681 6.9223 9.33898 13.1316 6.08245 7.06939 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 9.64443 6.49956 12.163 4.3481 12.4681 7.0561 9.33898 13.1316 6.86728 7.06939 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 3.9764 5.10496 8.75597 6.48948 9.51923 13.4985 5.92242 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 5.08437 7.26086 7.32662 3.9764 5.10496 8.75597 6.10456 8.40073 6.934 5.2571 numMergedOcc 0
17 mol 98 unq 2 iso 0 dist 5.08437 7.26086 7.32662 3.9764 5.10496 8.75597 10.1136 10.2427 7.17433 8.7497 numMergedOcc 0
18 mol 98 unq 3 iso 0 dist 6.48948 7.26086 13.4985 3.9764 5.92242 8.75597 5.08437 9.51923 7.32662 5.10496 numMergedOcc 0
19 mol 98 unq 4 iso 0 dist 6.48948 7.26086 13.4985 3.9764 5.92242 8.75597 6.10456 9.42358 6.934 5.2571 numMergedOcc 0
20 mol 98 unq 5 iso 0 dist 6.48948 7.26086 13.4985 3.9764 5.92242 8.75597 10.1136 13.9786 7.17433 8.7497 numMergedOcc 0
21 mol 98 unq 6 iso 0 dist 6.10456 7.26086 6.934 3.9764 5.2571 8.75597 5.08437 8.40073 7.32662 5.10496 numMergedOcc 0
22 mol 98 unq 7 iso 0 dist 6.10456 7.26086 6.934 3.9764 5.2571 8.75597 6.48948 9.42358 13.4985 5.92242 numMergedOcc 0
23 mol 98 unq 8 iso 0 dist 6.10456 7.26086 6.934 3.9764 5.2571 8.75597 10.1136 5.02887 7.17433 8.7497 numMergedOcc 0
24 mol 112 unq 0 iso 0 dist 7.71338 6.43433 8.56707 6.95317 8.47988 4.99604 11.5121 4.8896 10.1567 9.02706 numMergedOcc 0
25 mol 112 unq 1 iso 0 dist 7.71338 6.43433 8.56707 6.75738 13.1243 7.44041 11.8312 14.5975 12.6695 9.05166 numMergedOcc 0
26 mol 112 unq 2 iso 0 dist 9.60462 9.92283 17.3924 10.9279 19.9429 4.99604 16.5915 24.8304 10.1567 9.02706 numMergedOcc 0
27 mol 112 unq 3 iso 0 dist 9.60462 9.92283 17.3924 10.9279 19.9429 4.99604 12.603 20.4252 8.56707 8.47988 numMergedOcc 0
28 mol 112 unq 4 iso 0 dist 9.60462 9.92283 17.3924 5.43385 10.2348 7.44041 11.438 10.838 12.6695 9.05166 numMergedOcc 0
29 mol 115 unq 0 iso 0 dist 5.83991 5.72642 6.4497 5.03039 10.5599 8.4965 7.30858 10.8507 5.61704 6.04595 numMergedOcc 0
30 mol 115 unq 1 iso 0 dist 7.88312 5.72642 7.3094 5.03039 11.8378 8.4965 7.30858 11.5723 5.61704 6.04595 numMergedOcc 0
31 mol 119 unq 0 iso 0 dist 8.73993 7.77116 3.78311 9.68677 7.64052 9.57341 16.4353 9.93257 13.52 8.95212 numMergedOcc 0
32 mol 119 unq 1 iso 0 dist 8.73993 7.77116 3.78311 9.68677 7.64052 9.57341 10.3704 4.85907 4.99056 6.99446 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 16.4114 14.3561 8.48313 14.0375 13.4122 6.02179 5.35237 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 8.94367 8.20836 9.4027 16.4114 14.3561 8.48313 17.9288 13.7084 10.9332 7.99477 numMergedOcc 0
35 mol 134 unq 2 iso 0 dist 8.94367 8.20836 9.4027 12.8086 11.0808 6.99345 15.281 10.1584 11.7434 6.42772 numMergedOcc 0
36 mol 134 unq 3 iso 0 dist 8.94367 8.20836 9.4027 12.8086 11.0808 6.99345 9.86662 6.81259 5.12325 9.1998 numMergedOcc 0
37 mol 134 unq 4 iso 0 dist 8.94367 8.20836 9.4027 12.8086 11.0808 6.99345 14.0375 13.4122 6.02179 8.70621 numMergedOcc 0
38 mol 134 unq 5 iso 0 dist 8.94367 8.20836 9.4027 7.41373 9.33094 5.11043 9.86662 6.81259 5.12325 8.69531 numMergedOcc 0
39 mol 134 unq 6 iso 0 dist 9.86662 8.20836 5.12325 16.4114 9.71716 8.48313 14.0375 7.09823 6.02179 5.35237 numMergedOcc 0
40 mol 134 unq 7 iso 0 dist 9.86662 8.20836 5.12325 16.4114 9.71716 8.48313 17.9288 8.25185 10.9332 7.99477 numMergedOcc 0
41 mol 134 unq 8 iso 0 dist 9.86662 8.20836 5.12325 12.8086 9.1998 6.99345 15.281 11.6064 11.7434 6.42772 numMergedOcc 0
42 mol 134 unq 9 iso 0 dist 9.86662 8.20836 5.12325 12.8086 9.1998 6.99345 14.0375 7.09823 6.02179 8.70621 numMergedOcc 0
43 mol 134 unq 10 iso 0 dist 9.86662 8.20836 5.12325 7.41373 8.69531 5.11043 8.94367 6.81259 9.4027 9.33094 numMergedOcc 0
44 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 9.84297 10.4285 6.92726 14.2459 12.3721 9.22869 6.41689 numMergedOcc 0
45 mol 152 unq 1 iso 0 dist 5.87555 8.28642 5.70788 9.84297 10.4285 6.92726 12.6535 8.38114 5.71767 9.07758 numMergedOcc 0
46 mol 152 unq 2 iso 0 dist 5.87555 8.35555 5.59336 4.94983 6.70693 7.1069 10.399 7.65448 7.2238 6.59889 numMergedOcc 0
47 mol 152 unq 3 iso 0 dist 8.87437 8.35555 10.9728 4.94983 10.4895 7.1069 10.399 10.6875 7.2238 6.59889 numMergedOcc 0
48 mol 152 unq 4 iso 0 dist 8.87437 8.35555 10.9728 4.94983 10.4895 7.1069 5.87555 5.49936 5.59336 6.70693 numMergedOcc 0
49 mol 152 unq 5 iso 0 dist 8.56324 9.77552 9.35627 12.4535 14.437 6.92726 17.7925 17.497 9.22869 6.41689 numMergedOcc 0
50 mol 152 unq 6 iso 0 dist 8.56324 9.77552 9.35627 12.4535 14.437 6.92726 15.4635 13.1689 5.71767 9.07758 numMergedOcc 0
51 mol 152 unq 7 iso 0 dist 6.70283 8.28642 9.35627 9.84297 14.437 6.92726 14.2459 17.497 9.22869 6.41689 numMergedOcc 0
52 mol 152 unq 8 iso 0 dist 6.70283 8.28642 9.35627 9.84297 14.437 6.92726 12.6535 13.1689 5.71767 9.07758 numMergedOcc 0
53 mol 152 unq 9 iso 0 dist 8.67331 8.28642 11.2078 9.84297 15.2732 6.92726 14.2459 16.4825 9.22869 6.41689 numMergedOcc 0
54 mol 152 unq 10 iso 0 dist 8.67331 8.28642 11.2078 9.84297 15.2732 6.92726 12.6535 12.5209 5.71767 9.07758 numMergedOcc 0
55 mol 170 unq 0 iso 0 dist 9.76807 8.15099 7.72147 4.78249 9.51256 5.13268 12.8281 8.56034 5.95519 9.08274 numMergedOcc 0
56 mol 178 unq 0 iso 0 dist 6.43573 4.92088 8.27339 6.42973 10.0638 8.25282 6.69288 5.34677 10.1489 7.06025 numMergedOcc 0
57 mol 178 unq 1 iso 0 dist 7.17202 4.92088 9.79302 6.42973 13.2692 8.25282 6.69288 11.7381 10.1489 7.06025 numMergedOcc 0
58 mol 178 unq 2 iso 0 dist 8.81551 4.92088 8.65097 6.42973 15.0672 8.25282 6.69288 14.0703 10.1489 7.06025 numMergedOcc 0
59 mol 224 unq 0 iso 0 dist 9.40098 8.37597 6.77927 5.13732 11.2501 8.54702 6.61986 9.54151 4.59567 8.08349 numMergedOcc 0
60 mol 224 unq 1 iso 0 dist 9.40098 8.37597 6.77927 5.13732 11.2501 8.54702 13.4025 15.5013 9.48743 9.78218 numMergedOcc 0
61 mol 224 unq 2 iso 0 dist 6.61986 8.37597 4.59567 5.13732 8.08349 8.54702 13.4025 10.3613 9.48743 9.78218 numMergedOcc 0
62 mol 227 unq 0 iso 0 dist 9.34734 8.03442 10.2525 5.0317 10.7855 9.43618 7.22101 6.99063 10.5813 5.23634 numMergedOcc 0
63 mol 227 unq 1 iso 0 dist 9.34734 8.03442 10.2525 5.0317 10.7855 9.43618 8.65997 7.60506 7.22396 6.91318 numMergedOcc 0
64 mol 227 unq 2 iso 0 dist 7.22101 8.03442 10.5813 5.0317 5.23634 9.43618 8.65997 5.22356 7.22396 6.91318 numMergedOcc 0
65 mol 227 unq 3 iso 0 dist 8.65997 8.03442 7.22396 5.0317 6.91318 9.43618 7.22101 5.22356 10.5813 5.23634 numMergedOcc 0
66 mol 227 unq 4 iso 0 dist 7.56888 8.03442 6.10296 5.0317 11.2661 9.43618 7.22101 10.8658 10.5813 5.23634 numMergedOcc 0
67 mol 227 unq 5 iso 0 dist 7.56888 8.03442 6.10296 5.0317 11.2661 9.43618 8.65997 9.70012 7.22396 6.91318 numMergedOcc 0
68 mol 227 unq 6 iso 0 dist 7.55216 8.03442 9.69537 5.0317 12.3663 9.43618 7.22101 12.4689 10.5813 5.23634 numMergedOcc 0
69 mol 227 unq 7 iso 0 dist 7.55216 8.03442 9.69537 5.0317 12.3663 9.43618 8.65997 12.9332 7.22396 6.91318 numMergedOcc 0
70 mol 252 unq 0 iso 0 dist 8.1148 6.11473 9.32326 5.6214 13.1298 9.39658 10.5136 14.9102 13.9054 7.15764 numMergedOcc 0
71 mol 252 unq 1 iso 0 dist 8.1148 6.53679 11.056 5.6214 13.1298 5.9974 10.5136 14.9102 7.63376 7.15764 numMergedOcc 0
72 mol 252 unq 2 iso 0 dist 8.1715 6.11473 5.72783 5.6214 10.5687 9.39658 10.5136 11.7918 13.9054 7.15764 numMergedOcc 0
73 mol 252 unq 3 iso 0 dist 8.1715 6.53679 5.23748 5.6214 10.5687 5.9974 10.5136 11.7918 7.63376 7.15764 numMergedOcc 0
74 mol 252 unq 4 iso 0 dist 8.33025 7.50201 11.056 7.40852 13.1298 5.9974 7.19638 14.9102 7.63376 7.15764 numMergedOcc 0
75 mol 252 unq 5 iso 0 dist 9.2288 7.50201 5.23748 7.40852 10.5687 5.9974 7.19638 11.7918 7.63376 7.15764 numMergedOcc 0
76 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 13.2035 19.5824 7.14086 9.90113 14.4574 4.48907 5.90924 numMergedOcc 0
77 mol 264 unq 1 iso 0 dist 9.17653 6.14323 13.0621 13.2035 19.5824 7.14086 14.5869 20.6232 9.09085 5.90058 numMergedOcc 0
78 mol 264 unq 2 iso 0 dist 9.17653 6.14323 13.0621 13.2035 19.5824 7.14086 13.9815 16.6464 10.1591 9.58916 numMergedOcc 0
