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1 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 5.99459 6.88805 11.7002 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 5.72491 5.44992 9.67164 13.156 8.0744 numMergedOcc 0
3 mol 18 unq 0 iso 0 dist 9.51761 7.55766 12.4713 5.65084 12.6536 4.8604 numMergedOcc 0
4 mol 18 unq 1 iso 0 dist 7.3094 7.55766 6.48196 5.65084 9.36767 4.8604 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 7.95042 5.69214 4.47891 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.86116 6.72502 6.58998 8.09311 11.6226 9.94429 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 8.86116 6.72502 6.58998 9.05357 13.1949 6.88355 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.86116 6.60423 5.97304 7.95042 5.11636 4.47891 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 8.38394 6.72502 6.59374 8.09311 6.17155 9.94429 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 8.38394 6.72502 6.59374 9.05357 10.3122 6.88355 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 5.54419 4.93188 4.33963 6.6219 4.82629 8.32592 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 5.54419 4.93188 4.33963 5.68215 10.1698 8.10397 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 7.36323 9.24958 4.33963 8.87744 6.28159 7.55689 numMergedOcc 0
14 mol 24 unq 9 iso 0 dist 7.36323 9.24958 4.33963 7.27472 5.50396 5.11135 numMergedOcc 0
15 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 7.52933 5.03027 7.41888 numMergedOcc 0
16 mol 25 unq 1 iso 0 dist 5.04899 6.6492 9.20601 6.55597 4.69295 8.89681 numMergedOcc 0
17 mol 25 unq 2 iso 0 dist 5.04899 6.6492 9.20601 9.71956 12.2542 6.97709 numMergedOcc 0
18 mol 25 unq 3 iso 0 dist 5.04899 6.6492 9.20601 7.07751 8.79309 5.5511 numMergedOcc 0
19 mol 25 unq 4 iso 0 dist 5.04899 6.6492 9.20601 8.23761 8.17061 4.38027 numMergedOcc 0
20 mol 25 unq 5 iso 0 dist 5.04899 6.6492 9.20601 9.49421 13.6145 11.7199 numMergedOcc 0
21 mol 25 unq 6 iso 0 dist 7.57578 6.90155 9.36158 4.79873 10.2864 6.86525 numMergedOcc 0
22 mol 25 unq 7 iso 0 dist 7.57578 6.90155 9.36158 9.48085 5.18617 13.7717 numMergedOcc 0
23 mol 25 unq 8 iso 0 dist 7.17969 6.90155 10.1525 4.79873 11.4148 6.86525 numMergedOcc 0
24 mol 25 unq 9 iso 0 dist 7.17969 6.90155 10.1525 9.48085 5.68041 13.7717 numMergedOcc 0
25 mol 25 unq 10 iso 0 dist 7.31767 5.81959 7.63409 7.6114 6.10919 11.4877 numMergedOcc 0
26 mol 25 unq 11 iso 0 dist 6.03987 5.81959 8.4666 7.6114 5.86705 11.4877 numMergedOcc 0
27 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 6.75943 4.96926 4.55347 numMergedOcc 0
28 mol 43 unq 1 iso 0 dist 5.73819 8.44903 5.48048 6.66407 5.07458 4.69849 numMergedOcc 0
29 mol 43 unq 2 iso 0 dist 8.80331 9.93832 9.06158 6.6263 5.41726 4.55347 numMergedOcc 0
30 mol 43 unq 3 iso 0 dist 6.20293 8.60739 9.06158 6.75943 5.41726 4.55347 numMergedOcc 0
31 mol 43 unq 4 iso 0 dist 8.93915 8.60739 11.3891 6.75943 10.0383 4.55347 numMergedOcc 0
32 mol 45 unq 0 iso 0 dist 7.2846 9.44459 5.73693 9.33906 6.42339 10.7651 numMergedOcc 0
33 mol 45 unq 1 iso 0 dist 7.58835 9.44459 11.6164 9.33906 5.1274 10.7651 numMergedOcc 0
34 mol 56 unq 0 iso 0 dist 8.66265 6.77886 6.03623 9.03564 6.75591 10.5332 numMergedOcc 0
35 mol 59 unq 0 iso 0 dist 7.17396 8.64015 11.0904 6.56212 7.31539 4.88345 numMergedOcc 0
36 mol 59 unq 1 iso 0 dist 9.21998 8.64015 12.9211 6.56212 11.1607 4.88345 numMergedOcc 0
37 mol 60 unq 0 iso 0 dist 8.90863 8.82176 13.0114 9.95132 8.27828 12.9345 numMergedOcc 0
38 mol 60 unq 1 iso 0 dist 8.90863 8.82176 13.0114 7.48086 7.80499 5.71764 numMergedOcc 0
39 mol 60 unq 2 iso 0 dist 8.7531 7.55695 9.62257 8.4312 8.62476 5.71764 numMergedOcc 0
40 mol 73 unq 0 iso 0 dist 9.38498 7.04044 15.7304 9.73086 17.4121 7.8972 numMergedOcc 0
41 mol 73 unq 1 iso 0 dist 9.96396 7.04044 8.26458 9.73086 5.70116 7.8972 numMergedOcc 0
42 mol 73 unq 2 iso 0 dist 6.19304 8.73253 8.26458 8.68662 6.20232 10.9746 numMergedOcc 0
43 mol 73 unq 3 iso 0 dist 6.19304 8.73253 8.26458 7.4369 5.70116 7.8972 numMergedOcc 0
44 mol 73 unq 4 iso 0 dist 8.70481 8.85586 14.8866 5.5087 11.2069 5.50891 numMergedOcc 0
45 mol 73 unq 5 iso 0 dist 8.70481 8.85586 14.8866 6.08682 10.6713 4.75954 numMergedOcc 0
46 mol 73 unq 6 iso 0 dist 8.70481 7.11 8.05119 5.5087 11.2069 7.50869 numMergedOcc 0
47 mol 73 unq 7 iso 0 dist 8.70481 7.11 8.05119 6.08682 10.6713 3.6807 numMergedOcc 0
48 mol 73 unq 8 iso 0 dist 9.75218 7.04044 8.35241 9.73086 14.844 7.8972 numMergedOcc 0
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50 mol 85 unq 1 iso 0 dist 6.19965 7.33422 7.91778 7.7068 4.41789 6.33204 numMergedOcc 0
51 mol 85 unq 2 iso 0 dist 7.66905 7.33422 10.121 7.7068 5.59906 6.33204 numMergedOcc 0
52 mol 100 unq 0 iso 0 dist 6.45675 9.00544 11.8512 7.82475 5.43561 11.3766 numMergedOcc 0
53 mol 100 unq 1 iso 0 dist 6.45675 9.00544 11.8512 5.35782 6.30222 10.5056 numMergedOcc 0
54 mol 100 unq 2 iso 0 dist 6.45675 7.12017 9.52882 7.82475 5.43561 13.4027 numMergedOcc 0
55 mol 100 unq 3 iso 0 dist 6.45675 7.12017 9.52882 5.35782 6.30222 12.068 numMergedOcc 0
56 mol 100 unq 4 iso 0 dist 7.47343 9.00544 14.9392 7.82475 5.9143 11.3766 numMergedOcc 0
57 mol 100 unq 5 iso 0 dist 7.47343 9.00544 14.9392 5.35782 5.47563 10.5056 numMergedOcc 0
58 mol 100 unq 6 iso 0 dist 7.47343 7.12017 12.6602 7.82475 5.9143 13.4027 numMergedOcc 0
59 mol 100 unq 7 iso 0 dist 7.47343 7.12017 12.6602 5.35782 5.47563 12.068 numMergedOcc 0
60 mol 100 unq 8 iso 0 dist 8.86688 9.00544 9.01214 7.82475 5.25234 11.3766 numMergedOcc 0
61 mol 100 unq 9 iso 0 dist 8.86688 9.00544 9.01214 5.35782 5.03232 10.5056 numMergedOcc 0
62 mol 100 unq 10 iso 0 dist 8.86688 7.12017 14.8674 7.82475 5.25234 13.4027 numMergedOcc 0
63 mol 100 unq 11 iso 0 dist 8.86688 7.12017 14.8674 5.35782 5.03232 12.068 numMergedOcc 0
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68 mol 115 unq 1 iso 0 dist 7.30858 5.72642 5.61704 9.42082 15.3161 10.5109 numMergedOcc 0
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70 mol 115 unq 3 iso 0 dist 5.83991 5.72642 6.4497 9.42082 6.63111 10.5109 numMergedOcc 0
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72 mol 115 unq 5 iso 0 dist 7.88312 5.72642 7.3094 9.42082 6.07067 10.5109 numMergedOcc 0
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107 mol 178 unq 3 iso 0 dist 8.81551 4.92088 8.65097 9.11204 14.2467 7.79894 numMergedOcc 0
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112 mol 214 unq 1 iso 0 dist 7.14453 6.38157 9.35273 7.46481 8.459 5.73082 numMergedOcc 0
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119 mol 222 unq 5 iso 0 dist 7.54212 8.48341 7.60395 9.75472 11.9567 8.90753 numMergedOcc 0
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134 mol 236 unq 1 iso 0 dist 7.68742 8.50331 9.05842 9.3206 4.89609 5.59363 numMergedOcc 0
135 mol 236 unq 2 iso 0 dist 6.27581 8.50331 7.00028 9.3206 10.5774 5.59363 numMergedOcc 0
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142 mol 259 unq 1 iso 0 dist 7.46176 8.55558 5.60748 6.95511 11.6988 9.55426 numMergedOcc 0
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144 mol 259 unq 3 iso 0 dist 5.30224 8.59697 7.31951 6.9899 7.09907 7.32929 numMergedOcc 0
145 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 8.29262 10.7813 5.82131 numMergedOcc 0
