0 mol 0 unq 0 iso 0 dist 9.19007 6.0225 6.94943 7.65806 9.64573 9.72725 numMergedOcc 0
1 mol 1 unq 0 iso 0 dist 8.26708 6.27888 7.27254 12.8272 12.7486 6.86701 numMergedOcc 0
2 mol 1 unq 1 iso 0 dist 6.09918 4.50502 7.27254 10.488 12.7486 6.86701 numMergedOcc 0
3 mol 7 unq 0 iso 0 dist 5.72491 7.12508 8.15894 10.5461 10.2446 9.87885 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 5.72491 7.12508 8.15894 7.10621 5.44992 6.1206 numMergedOcc 0
5 mol 7 unq 2 iso 0 dist 7.88043 12.8323 8.15894 8.41585 10.2446 9.87885 numMergedOcc 0
6 mol 7 unq 3 iso 0 dist 7.88043 12.8323 8.15894 12.2333 5.44992 6.1206 numMergedOcc 0
7 mol 7 unq 4 iso 0 dist 8.80762 12.8323 8.45544 8.41585 12.3097 9.87885 numMergedOcc 0
8 mol 7 unq 5 iso 0 dist 8.80762 12.8323 8.45544 12.2333 4.74523 6.1206 numMergedOcc 0
9 mol 9 unq 0 iso 0 dist 9.78006 5.84314 7.05919 8.57077 3.98483 5.8245 numMergedOcc 0
10 mol 24 unq 0 iso 0 dist 6.72502 5.11636 8.24948 8.86116 6.58998 7.95042 numMergedOcc 0
11 mol 26 unq 0 iso 0 dist 8.44506 7.11305 6.38243 10.2542 5.30734 9.12845 numMergedOcc 0
12 mol 43 unq 0 iso 0 dist 9.93832 10.8828 7.24352 10.5523 5.64171 6.66407 numMergedOcc 0
13 mol 43 unq 1 iso 0 dist 8.60739 5.07458 7.24352 5.73819 5.64171 6.66407 numMergedOcc 0
14 mol 43 unq 2 iso 0 dist 8.44903 4.96926 7.15901 10.5523 7.05402 6.6263 numMergedOcc 0
15 mol 43 unq 3 iso 0 dist 8.44903 4.96926 7.15901 5.73819 5.48048 6.75943 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 7.27383 4.00553 6.87028 10.3988 7.40296 9.97769 numMergedOcc 0
17 mol 58 unq 1 iso 0 dist 7.27383 4.00553 6.87028 11.221 5.89202 9.32706 numMergedOcc 0
18 mol 58 unq 2 iso 0 dist 7.27383 4.00553 6.87028 6.64012 6.37648 9.08221 numMergedOcc 0
19 mol 68 unq 0 iso 0 dist 7.9814 5.74372 9.45329 10.6668 9.32986 6.17207 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 6.61823 5.31547 6.98037 9.64443 7.24315 9.36001 numMergedOcc 0
21 mol 92 unq 1 iso 0 dist 6.61823 4.3481 6.9223 9.33898 6.08245 7.06939 numMergedOcc 0
22 mol 92 unq 2 iso 0 dist 6.49956 4.3481 7.0561 9.33898 6.86728 7.06939 numMergedOcc 0
23 mol 93 unq 0 iso 0 dist 9.81831 9.34182 5.71763 17.8114 9.57225 9.22631 numMergedOcc 0
24 mol 93 unq 1 iso 0 dist 9.12858 12.0103 5.71763 18.1813 9.57225 9.22631 numMergedOcc 0
25 mol 93 unq 2 iso 0 dist 9.4523 12.9351 5.71763 18.6831 9.57225 9.22631 numMergedOcc 0
26 mol 98 unq 0 iso 0 dist 7.26086 3.9764 8.75597 5.08437 7.32662 5.10496 numMergedOcc 0
27 mol 98 unq 1 iso 0 dist 7.26086 3.9764 8.75597 6.48948 13.4985 5.92242 numMergedOcc 0
28 mol 98 unq 2 iso 0 dist 7.26086 3.9764 8.75597 6.10456 6.934 5.2571 numMergedOcc 0
29 mol 98 unq 3 iso 0 dist 7.26086 3.9764 8.75597 10.1136 7.17433 8.7497 numMergedOcc 0
30 mol 112 unq 0 iso 0 dist 6.43433 6.95317 4.99604 11.5121 10.1567 9.02706 numMergedOcc 0
31 mol 112 unq 1 iso 0 dist 6.43433 6.95317 4.99604 7.71338 8.56707 8.47988 numMergedOcc 0
32 mol 112 unq 2 iso 0 dist 6.43433 6.75738 7.44041 11.8312 12.6695 9.05166 numMergedOcc 0
33 mol 112 unq 3 iso 0 dist 9.92283 10.9279 4.99604 16.5915 10.1567 9.02706 numMergedOcc 0
34 mol 112 unq 4 iso 0 dist 9.92283 10.9279 4.99604 12.603 8.56707 8.47988 numMergedOcc 0
35 mol 112 unq 5 iso 0 dist 9.92283 5.43385 7.44041 11.438 12.6695 9.05166 numMergedOcc 0
36 mol 115 unq 0 iso 0 dist 5.72642 5.03039 8.4965 7.30858 5.61704 6.04595 numMergedOcc 0
37 mol 119 unq 0 iso 0 dist 7.77116 9.68677 9.57341 16.4353 13.52 8.95212 numMergedOcc 0
38 mol 119 unq 1 iso 0 dist 7.77116 9.68677 9.57341 10.3704 4.99056 6.99446 numMergedOcc 0
39 mol 119 unq 2 iso 0 dist 7.77116 9.68677 9.57341 8.73993 3.78311 7.64052 numMergedOcc 0
40 mol 130 unq 0 iso 0 dist 9.28592 8.14075 8.24966 10.3889 4.28797 9.98797 numMergedOcc 0
41 mol 134 unq 0 iso 0 dist 7.36779 14.2036 8.48313 12.9594 6.02179 5.35237 numMergedOcc 0
42 mol 134 unq 1 iso 0 dist 7.36779 14.2036 8.48313 18.1911 10.9332 7.99477 numMergedOcc 0
43 mol 134 unq 2 iso 0 dist 7.36779 10.092 6.99345 13.9286 11.7434 6.42772 numMergedOcc 0
44 mol 134 unq 3 iso 0 dist 7.36779 10.092 6.99345 11.3835 5.12325 9.1998 numMergedOcc 0
45 mol 134 unq 4 iso 0 dist 7.36779 10.092 6.99345 12.9594 6.02179 8.70621 numMergedOcc 0
46 mol 134 unq 5 iso 0 dist 7.36779 4.46337 5.11043 11.7385 9.4027 9.33094 numMergedOcc 0
47 mol 134 unq 6 iso 0 dist 7.36779 4.46337 5.11043 11.3835 5.12325 8.69531 numMergedOcc 0
48 mol 134 unq 7 iso 0 dist 8.20836 16.4114 8.48313 14.0375 6.02179 5.35237 numMergedOcc 0
49 mol 134 unq 8 iso 0 dist 8.20836 16.4114 8.48313 17.9288 10.9332 7.99477 numMergedOcc 0
50 mol 134 unq 9 iso 0 dist 8.20836 12.8086 6.99345 15.281 11.7434 6.42772 numMergedOcc 0
51 mol 134 unq 10 iso 0 dist 8.20836 12.8086 6.99345 9.86662 5.12325 9.1998 numMergedOcc 0
52 mol 134 unq 11 iso 0 dist 8.20836 12.8086 6.99345 14.0375 6.02179 8.70621 numMergedOcc 0
53 mol 134 unq 12 iso 0 dist 8.20836 7.41373 5.11043 8.94367 9.4027 9.33094 numMergedOcc 0
54 mol 134 unq 13 iso 0 dist 8.20836 7.41373 5.11043 9.86662 5.12325 8.69531 numMergedOcc 0
55 mol 143 unq 0 iso 0 dist 7.25673 4.78563 8.612 5.99315 9.23795 5.37047 numMergedOcc 0
56 mol 152 unq 0 iso 0 dist 9.77552 12.4535 6.92726 17.7925 9.22869 6.41689 numMergedOcc 0
57 mol 152 unq 1 iso 0 dist 9.77552 12.4535 6.92726 15.4635 5.71767 9.07758 numMergedOcc 0
58 mol 152 unq 2 iso 0 dist 8.28642 9.84297 6.92726 14.2459 9.22869 6.41689 numMergedOcc 0
59 mol 152 unq 3 iso 0 dist 8.28642 9.84297 6.92726 12.6535 5.71767 9.07758 numMergedOcc 0
60 mol 152 unq 4 iso 0 dist 8.35555 4.94983 7.1069 10.399 7.2238 6.59889 numMergedOcc 0
61 mol 152 unq 5 iso 0 dist 8.35555 4.94983 7.1069 5.87555 5.59336 6.70693 numMergedOcc 0
62 mol 170 unq 0 iso 0 dist 8.15099 4.78249 5.13268 12.8281 5.95519 9.08274 numMergedOcc 0
63 mol 170 unq 1 iso 0 dist 8.15099 4.78249 5.13268 9.76807 7.72147 9.51256 numMergedOcc 0
64 mol 178 unq 0 iso 0 dist 4.92088 6.42973 8.25282 6.69288 10.1489 7.06025 numMergedOcc 0
65 mol 188 unq 0 iso 0 dist 8.57261 9.71636 7.79115 13.353 5.48276 7.88013 numMergedOcc 0
66 mol 222 unq 0 iso 0 dist 9.2581 9.01393 7.97027 12.6531 6.42798 6.74196 numMergedOcc 0
67 mol 222 unq 1 iso 0 dist 9.2581 5.64455 4.9876 12.6531 6.42798 8.36842 numMergedOcc 0
68 mol 222 unq 2 iso 0 dist 9.62632 13.3586 7.97027 11.8674 6.42798 6.74196 numMergedOcc 0
69 mol 222 unq 3 iso 0 dist 9.62632 5.9478 4.9876 11.8674 6.42798 8.36842 numMergedOcc 0
70 mol 222 unq 4 iso 0 dist 7.862 8.84507 7.97027 6.00706 6.42798 6.74196 numMergedOcc 0
71 mol 222 unq 5 iso 0 dist 7.862 6.02502 4.9876 6.00706 6.42798 8.36842 numMergedOcc 0
72 mol 224 unq 0 iso 0 dist 8.37597 5.13732 8.54702 6.61986 4.59567 8.08349 numMergedOcc 0
73 mol 224 unq 1 iso 0 dist 8.37597 5.13732 8.54702 13.4025 9.48743 9.78218 numMergedOcc 0
74 mol 225 unq 0 iso 0 dist 8.87609 17.3148 9.87668 22.4468 16.6392 8.1945 numMergedOcc 0
75 mol 225 unq 1 iso 0 dist 8.87609 17.3148 9.87668 13.3684 4.76151 6.50998 numMergedOcc 0
76 mol 225 unq 2 iso 0 dist 8.87609 13.3773 8.42121 13.3684 4.76151 9.09424 numMergedOcc 0
77 mol 225 unq 3 iso 0 dist 8.87609 9.9875 4.98402 13.3684 4.76151 8.14831 numMergedOcc 0
78 mol 227 unq 0 iso 0 dist 8.03442 5.0317 9.43618 7.22101 10.5813 5.23634 numMergedOcc 0
79 mol 227 unq 1 iso 0 dist 8.03442 5.0317 9.43618 8.65997 7.22396 6.91318 numMergedOcc 0
80 mol 238 unq 0 iso 0 dist 5.52379 4.48415 6.53286 11.5794 11.0349 9.12776 numMergedOcc 0
81 mol 238 unq 1 iso 0 dist 5.52379 4.48415 6.53286 12.2442 10.7551 9.72188 numMergedOcc 0
82 mol 252 unq 0 iso 0 dist 6.11473 5.6214 9.39658 10.5136 13.9054 7.15764 numMergedOcc 0
83 mol 252 unq 1 iso 0 dist 6.53679 5.6214 5.9974 10.5136 7.63376 7.15764 numMergedOcc 0
84 mol 252 unq 2 iso 0 dist 7.50201 7.40852 5.9974 7.19638 7.63376 7.15764 numMergedOcc 0
85 mol 264 unq 0 iso 0 dist 7.52281 5.71153 6.02757 10.4298 6.84156 9.19754 numMergedOcc 0
86 mol 264 unq 1 iso 0 dist 7.52281 5.71153 6.02757 9.90113 9.37297 8.29262 numMergedOcc 0
87 mol 264 unq 2 iso 0 dist 6.42588 6.56539 6.02757 12.864 6.84156 9.19754 numMergedOcc 0
88 mol 264 unq 3 iso 0 dist 6.42588 6.56539 6.02757 13.9815 9.37297 8.29262 numMergedOcc 0
89 mol 264 unq 4 iso 0 dist 6.04162 11.4167 7.14086 10.4298 4.48907 5.90924 numMergedOcc 0
90 mol 264 unq 5 iso 0 dist 6.04162 11.4167 7.14086 14.2152 9.09085 5.90058 numMergedOcc 0
91 mol 264 unq 6 iso 0 dist 6.04162 11.4167 7.14086 12.864 10.1591 9.58916 numMergedOcc 0
92 mol 264 unq 7 iso 0 dist 6.14323 13.2035 7.14086 9.90113 4.48907 5.90924 numMergedOcc 0
93 mol 264 unq 8 iso 0 dist 6.14323 13.2035 7.14086 14.5869 9.09085 5.90058 numMergedOcc 0
94 mol 264 unq 9 iso 0 dist 6.14323 13.2035 7.14086 13.9815 10.1591 9.58916 numMergedOcc 0
