0 mol 7 unq 0 iso 0 dist 5.72491 7.12508 8.15894 10.5461 10.2446 9.87885 7.10621 5.44992 6.1206 13.2247 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 5.72491 7.12508 8.15894 7.10621 5.44992 6.1206 10.5461 10.2446 9.87885 13.2247 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 7.88043 12.8323 8.15894 8.41585 10.2446 9.87885 12.2333 5.44992 6.1206 13.2247 numMergedOcc 0
3 mol 7 unq 1 iso 1 dist 7.88043 12.8323 8.15894 12.2333 5.44992 6.1206 8.41585 10.2446 9.87885 13.2247 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 8.80762 12.8323 8.45544 8.41585 12.3097 9.87885 12.2333 4.74523 6.1206 13.2247 numMergedOcc 0
5 mol 7 unq 2 iso 1 dist 8.80762 12.8323 8.45544 12.2333 4.74523 6.1206 8.41585 12.3097 9.87885 13.2247 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.44903 4.96926 7.15901 10.5523 7.05402 6.6263 5.73819 5.48048 6.75943 8.13395 numMergedOcc 0
7 mol 43 unq 0 iso 1 dist 8.44903 4.96926 7.15901 5.73819 5.48048 6.75943 10.5523 7.05402 6.6263 8.13395 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 7.27383 4.00553 6.87028 10.3988 7.40296 9.97769 11.221 5.89202 9.32706 5.23069 numMergedOcc 0
9 mol 58 unq 0 iso 1 dist 7.27383 4.00553 6.87028 11.221 5.89202 9.32706 10.3988 7.40296 9.97769 5.23069 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 7.27383 4.00553 6.87028 10.3988 7.40296 9.97769 6.64012 6.37648 9.08221 7.5247 numMergedOcc 0
11 mol 58 unq 1 iso 1 dist 7.27383 4.00553 6.87028 6.64012 6.37648 9.08221 10.3988 7.40296 9.97769 7.5247 numMergedOcc 0
12 mol 58 unq 1 iso 0 dist 7.27383 4.00553 6.87028 11.221 5.89202 9.32706 6.64012 6.37648 9.08221 10.0658 numMergedOcc 0
13 mol 58 unq 1 iso 1 dist 7.27383 4.00553 6.87028 6.64012 6.37648 9.08221 11.221 5.89202 9.32706 10.0658 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 7.26086 3.9764 8.75597 5.08437 7.32662 5.10496 6.48948 13.4985 5.92242 9.51923 numMergedOcc 0
15 mol 98 unq 0 iso 1 dist 7.26086 3.9764 8.75597 6.48948 13.4985 5.92242 5.08437 7.32662 5.10496 9.51923 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 7.26086 3.9764 8.75597 5.08437 7.32662 5.10496 6.10456 6.934 5.2571 8.40073 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 7.26086 3.9764 8.75597 6.10456 6.934 5.2571 5.08437 7.32662 5.10496 8.40073 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 7.26086 3.9764 8.75597 5.08437 7.32662 5.10496 10.1136 7.17433 8.7497 10.2427 numMergedOcc 0
19 mol 98 unq 2 iso 1 dist 7.26086 3.9764 8.75597 10.1136 7.17433 8.7497 5.08437 7.32662 5.10496 10.2427 numMergedOcc 0
20 mol 98 unq 1 iso 0 dist 7.26086 3.9764 8.75597 6.48948 13.4985 5.92242 6.10456 6.934 5.2571 9.42358 numMergedOcc 0
21 mol 98 unq 1 iso 1 dist 7.26086 3.9764 8.75597 6.10456 6.934 5.2571 6.48948 13.4985 5.92242 9.42358 numMergedOcc 0
22 mol 98 unq 2 iso 0 dist 7.26086 3.9764 8.75597 6.48948 13.4985 5.92242 10.1136 7.17433 8.7497 13.9786 numMergedOcc 0
23 mol 98 unq 2 iso 1 dist 7.26086 3.9764 8.75597 10.1136 7.17433 8.7497 6.48948 13.4985 5.92242 13.9786 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 7.26086 3.9764 8.75597 6.10456 6.934 5.2571 10.1136 7.17433 8.7497 5.02887 numMergedOcc 0
25 mol 98 unq 2 iso 1 dist 7.26086 3.9764 8.75597 10.1136 7.17433 8.7497 6.10456 6.934 5.2571 5.02887 numMergedOcc 0
26 mol 112 unq 0 iso 0 dist 6.43433 6.95317 4.99604 11.5121 10.1567 9.02706 7.71338 8.56707 8.47988 4.8896 numMergedOcc 0
27 mol 112 unq 0 iso 1 dist 6.43433 6.95317 4.99604 7.71338 8.56707 8.47988 11.5121 10.1567 9.02706 4.8896 numMergedOcc 0
28 mol 112 unq 1 iso 0 dist 9.92283 10.9279 4.99604 16.5915 10.1567 9.02706 12.603 8.56707 8.47988 4.8896 numMergedOcc 0
29 mol 112 unq 1 iso 1 dist 9.92283 10.9279 4.99604 12.603 8.56707 8.47988 16.5915 10.1567 9.02706 4.8896 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 7.77116 9.68677 9.57341 16.4353 13.52 8.95212 10.3704 4.99056 6.99446 10.9871 numMergedOcc 0
31 mol 119 unq 0 iso 1 dist 7.77116 9.68677 9.57341 10.3704 4.99056 6.99446 16.4353 13.52 8.95212 10.9871 numMergedOcc 0
32 mol 119 unq 1 iso 0 dist 7.77116 9.68677 9.57341 16.4353 13.52 8.95212 8.73993 3.78311 7.64052 9.93257 numMergedOcc 0
33 mol 119 unq 1 iso 1 dist 7.77116 9.68677 9.57341 8.73993 3.78311 7.64052 16.4353 13.52 8.95212 9.93257 numMergedOcc 0
34 mol 119 unq 1 iso 0 dist 7.77116 9.68677 9.57341 10.3704 4.99056 6.99446 8.73993 3.78311 7.64052 4.85907 numMergedOcc 0
35 mol 119 unq 1 iso 1 dist 7.77116 9.68677 9.57341 8.73993 3.78311 7.64052 10.3704 4.99056 6.99446 4.85907 numMergedOcc 0
36 mol 134 unq 0 iso 0 dist 7.36779 14.2036 8.48313 12.9594 6.02179 5.35237 18.1911 10.9332 7.99477 6.90348 numMergedOcc 0
37 mol 134 unq 0 iso 1 dist 7.36779 14.2036 8.48313 18.1911 10.9332 7.99477 12.9594 6.02179 5.35237 6.90348 numMergedOcc 0
38 mol 134 unq 1 iso 0 dist 7.36779 10.092 6.99345 13.9286 11.7434 6.42772 11.3835 5.12325 9.1998 11.6064 numMergedOcc 0
39 mol 134 unq 1 iso 1 dist 7.36779 10.092 6.99345 11.3835 5.12325 9.1998 13.9286 11.7434 6.42772 11.6064 numMergedOcc 0
40 mol 134 unq 2 iso 0 dist 7.36779 10.092 6.99345 13.9286 11.7434 6.42772 12.9594 6.02179 8.70621 13.7309 numMergedOcc 0
41 mol 134 unq 2 iso 1 dist 7.36779 10.092 6.99345 12.9594 6.02179 8.70621 13.9286 11.7434 6.42772 13.7309 numMergedOcc 0
42 mol 134 unq 2 iso 0 dist 7.36779 10.092 6.99345 11.3835 5.12325 9.1998 12.9594 6.02179 8.70621 7.09823 numMergedOcc 0
43 mol 134 unq 2 iso 1 dist 7.36779 10.092 6.99345 12.9594 6.02179 8.70621 11.3835 5.12325 9.1998 7.09823 numMergedOcc 0
44 mol 134 unq 3 iso 0 dist 7.36779 4.46337 5.11043 11.7385 9.4027 9.33094 11.3835 5.12325 8.69531 6.81259 numMergedOcc 0
45 mol 134 unq 3 iso 1 dist 7.36779 4.46337 5.11043 11.3835 5.12325 8.69531 11.7385 9.4027 9.33094 6.81259 numMergedOcc 0
46 mol 134 unq 4 iso 0 dist 8.20836 16.4114 8.48313 14.0375 6.02179 5.35237 17.9288 10.9332 7.99477 6.90348 numMergedOcc 0
47 mol 134 unq 4 iso 1 dist 8.20836 16.4114 8.48313 17.9288 10.9332 7.99477 14.0375 6.02179 5.35237 6.90348 numMergedOcc 0
48 mol 134 unq 5 iso 0 dist 8.20836 12.8086 6.99345 15.281 11.7434 6.42772 9.86662 5.12325 9.1998 11.6064 numMergedOcc 0
49 mol 134 unq 5 iso 1 dist 8.20836 12.8086 6.99345 9.86662 5.12325 9.1998 15.281 11.7434 6.42772 11.6064 numMergedOcc 0
50 mol 134 unq 6 iso 0 dist 8.20836 12.8086 6.99345 15.281 11.7434 6.42772 14.0375 6.02179 8.70621 13.7309 numMergedOcc 0
51 mol 134 unq 6 iso 1 dist 8.20836 12.8086 6.99345 14.0375 6.02179 8.70621 15.281 11.7434 6.42772 13.7309 numMergedOcc 0
52 mol 134 unq 6 iso 0 dist 8.20836 12.8086 6.99345 9.86662 5.12325 9.1998 14.0375 6.02179 8.70621 7.09823 numMergedOcc 0
53 mol 134 unq 6 iso 1 dist 8.20836 12.8086 6.99345 14.0375 6.02179 8.70621 9.86662 5.12325 9.1998 7.09823 numMergedOcc 0
54 mol 134 unq 7 iso 0 dist 8.20836 7.41373 5.11043 8.94367 9.4027 9.33094 9.86662 5.12325 8.69531 6.81259 numMergedOcc 0
55 mol 134 unq 7 iso 1 dist 8.20836 7.41373 5.11043 9.86662 5.12325 8.69531 8.94367 9.4027 9.33094 6.81259 numMergedOcc 0
56 mol 152 unq 0 iso 0 dist 9.77552 12.4535 6.92726 17.7925 9.22869 6.41689 15.4635 5.71767 9.07758 6.8016 numMergedOcc 0
57 mol 152 unq 0 iso 1 dist 9.77552 12.4535 6.92726 15.4635 5.71767 9.07758 17.7925 9.22869 6.41689 6.8016 numMergedOcc 0
58 mol 152 unq 1 iso 0 dist 8.28642 9.84297 6.92726 14.2459 9.22869 6.41689 12.6535 5.71767 9.07758 6.8016 numMergedOcc 0
59 mol 152 unq 1 iso 1 dist 8.28642 9.84297 6.92726 12.6535 5.71767 9.07758 14.2459 9.22869 6.41689 6.8016 numMergedOcc 0
60 mol 152 unq 2 iso 0 dist 8.35555 4.94983 7.1069 10.399 7.2238 6.59889 5.87555 5.59336 6.70693 7.65448 numMergedOcc 0
61 mol 152 unq 2 iso 1 dist 8.35555 4.94983 7.1069 5.87555 5.59336 6.70693 10.399 7.2238 6.59889 7.65448 numMergedOcc 0
62 mol 170 unq 0 iso 0 dist 8.15099 4.78249 5.13268 12.8281 5.95519 9.08274 9.76807 7.72147 9.51256 8.56034 numMergedOcc 0
63 mol 170 unq 0 iso 1 dist 8.15099 4.78249 5.13268 9.76807 7.72147 9.51256 12.8281 5.95519 9.08274 8.56034 numMergedOcc 0
64 mol 224 unq 0 iso 0 dist 8.37597 5.13732 8.54702 6.61986 4.59567 8.08349 13.4025 9.48743 9.78218 10.3613 numMergedOcc 0
65 mol 224 unq 0 iso 1 dist 8.37597 5.13732 8.54702 13.4025 9.48743 9.78218 6.61986 4.59567 8.08349 10.3613 numMergedOcc 0
66 mol 225 unq 0 iso 0 dist 8.87609 17.3148 9.87668 22.4468 16.6392 8.1945 13.3684 4.76151 6.50998 13.3965 numMergedOcc 0
67 mol 225 unq 0 iso 1 dist 8.87609 17.3148 9.87668 13.3684 4.76151 6.50998 22.4468 16.6392 8.1945 13.3965 numMergedOcc 0
68 mol 227 unq 0 iso 0 dist 8.03442 5.0317 9.43618 7.22101 10.5813 5.23634 8.65997 7.22396 6.91318 5.22356 numMergedOcc 0
69 mol 227 unq 0 iso 1 dist 8.03442 5.0317 9.43618 8.65997 7.22396 6.91318 7.22101 10.5813 5.23634 5.22356 numMergedOcc 0
70 mol 238 unq 0 iso 0 dist 5.52379 4.48415 6.53286 11.5794 11.0349 9.12776 12.2442 10.7551 9.72188 15.7907 numMergedOcc 0
71 mol 238 unq 0 iso 1 dist 5.52379 4.48415 6.53286 12.2442 10.7551 9.72188 11.5794 11.0349 9.12776 15.7907 numMergedOcc 0
72 mol 264 unq 0 iso 0 dist 7.52281 5.71153 6.02757 10.4298 6.84156 9.19754 9.90113 9.37297 8.29262 4.92077 numMergedOcc 0
73 mol 264 unq 0 iso 1 dist 7.52281 5.71153 6.02757 9.90113 9.37297 8.29262 10.4298 6.84156 9.19754 4.92077 numMergedOcc 0
74 mol 264 unq 1 iso 0 dist 6.42588 6.56539 6.02757 12.864 6.84156 9.19754 13.9815 9.37297 8.29262 4.92077 numMergedOcc 0
75 mol 264 unq 1 iso 1 dist 6.42588 6.56539 6.02757 13.9815 9.37297 8.29262 12.864 6.84156 9.19754 4.92077 numMergedOcc 0
76 mol 264 unq 2 iso 0 dist 6.04162 11.4167 7.14086 10.4298 4.48907 5.90924 14.2152 9.09085 5.90058 7.07277 numMergedOcc 0
77 mol 264 unq 2 iso 1 dist 6.04162 11.4167 7.14086 14.2152 9.09085 5.90058 10.4298 4.48907 5.90924 7.07277 numMergedOcc 0
78 mol 264 unq 3 iso 0 dist 6.04162 11.4167 7.14086 10.4298 4.48907 5.90924 12.864 10.1591 9.58916 8.96144 numMergedOcc 0
79 mol 264 unq 3 iso 1 dist 6.04162 11.4167 7.14086 12.864 10.1591 9.58916 10.4298 4.48907 5.90924 8.96144 numMergedOcc 0
80 mol 264 unq 3 iso 0 dist 6.04162 11.4167 7.14086 14.2152 9.09085 5.90058 12.864 10.1591 9.58916 14.3597 numMergedOcc 0
81 mol 264 unq 3 iso 1 dist 6.04162 11.4167 7.14086 12.864 10.1591 9.58916 14.2152 9.09085 5.90058 14.3597 numMergedOcc 0
82 mol 264 unq 4 iso 0 dist 6.14323 13.2035 7.14086 9.90113 4.48907 5.90924 14.5869 9.09085 5.90058 7.07277 numMergedOcc 0
83 mol 264 unq 4 iso 1 dist 6.14323 13.2035 7.14086 14.5869 9.09085 5.90058 9.90113 4.48907 5.90924 7.07277 numMergedOcc 0
84 mol 264 unq 5 iso 0 dist 6.14323 13.2035 7.14086 9.90113 4.48907 5.90924 13.9815 10.1591 9.58916 8.96144 numMergedOcc 0
85 mol 264 unq 5 iso 1 dist 6.14323 13.2035 7.14086 13.9815 10.1591 9.58916 9.90113 4.48907 5.90924 8.96144 numMergedOcc 0
86 mol 264 unq 5 iso 0 dist 6.14323 13.2035 7.14086 14.5869 9.09085 5.90058 13.9815 10.1591 9.58916 14.3597 numMergedOcc 0
87 mol 264 unq 5 iso 1 dist 6.14323 13.2035 7.14086 13.9815 10.1591 9.58916 14.5869 9.09085 5.90058 14.3597 numMergedOcc 0
