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1 mol 0 unq 1 iso 0 dist 7.15528 9.23213 10.4498 5.24778 11.2263 8.34244 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 5.03847 10.3148 9.97624 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 7.10621 9.36807 10.515 13.8829 8.72114 9.97624 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.57077 8.47421 5.60154 9.5997 9.62394 9.57198 numMergedOcc 0
5 mol 19 unq 0 iso 0 dist 7.20519 7.82528 10.4988 15.119 19.7849 9.85134 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 7.20519 7.82528 10.4988 4.97119 10.741 5.82366 numMergedOcc 0
7 mol 19 unq 2 iso 0 dist 7.20519 9.80108 5.5841 9.32205 10.3056 8.19695 numMergedOcc 0
8 mol 19 unq 3 iso 0 dist 7.20519 9.80108 5.5841 4.96411 7.75618 7.02548 numMergedOcc 0
9 mol 19 unq 4 iso 0 dist 8.4674 6.20943 5.14627 10.943 14.129 9.85134 numMergedOcc 0
10 mol 19 unq 5 iso 0 dist 8.4674 6.20943 5.14627 4.64838 6.41575 5.82366 numMergedOcc 0
11 mol 19 unq 6 iso 0 dist 4.54938 7.82528 5.14627 15.119 14.129 9.85134 numMergedOcc 0
12 mol 19 unq 7 iso 0 dist 4.54938 7.82528 5.14627 4.97119 6.41575 5.82366 numMergedOcc 0
13 mol 19 unq 8 iso 0 dist 4.51865 6.20943 4.69858 10.943 13.212 9.85134 numMergedOcc 0
14 mol 19 unq 9 iso 0 dist 4.51865 6.20943 4.69858 4.64838 6.41423 5.82366 numMergedOcc 0
15 mol 19 unq 10 iso 0 dist 4.51865 8.58657 6.74265 13.0631 13.287 8.19695 numMergedOcc 0
16 mol 19 unq 11 iso 0 dist 4.51865 8.58657 6.74265 7.08342 8.40416 7.02548 numMergedOcc 0
17 mol 19 unq 12 iso 0 dist 6.864 7.82528 4.69858 15.119 13.212 9.85134 numMergedOcc 0
18 mol 19 unq 13 iso 0 dist 6.864 7.82528 4.69858 4.97119 6.41423 5.82366 numMergedOcc 0
19 mol 19 unq 14 iso 0 dist 6.864 8.58657 5.5841 13.0631 10.3056 8.19695 numMergedOcc 0
20 mol 19 unq 15 iso 0 dist 6.864 8.58657 5.5841 7.08342 7.75618 7.02548 numMergedOcc 0
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24 mol 54 unq 2 iso 0 dist 8.10861 5.02241 10.1332 4.29856 10.4158 6.30987 numMergedOcc 0
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27 mol 58 unq 2 iso 0 dist 6.35756 8.89374 6.47744 5.49591 8.80614 9.11258 numMergedOcc 0
28 mol 58 unq 3 iso 0 dist 6.64012 6.46761 5.24906 5.85698 9.86039 9.11258 numMergedOcc 0
29 mol 58 unq 4 iso 0 dist 6.64012 7.58407 5.11205 11.387 12.3035 8.71468 numMergedOcc 0
30 mol 58 unq 5 iso 0 dist 9.4099 9.73139 5.24906 12.2123 9.86039 9.11258 numMergedOcc 0
31 mol 58 unq 6 iso 0 dist 9.4099 6.31428 5.11205 5.74871 12.3035 8.71468 numMergedOcc 0
32 mol 58 unq 7 iso 0 dist 9.55426 9.73139 13.1021 12.2123 18.8985 9.11258 numMergedOcc 0
33 mol 58 unq 8 iso 0 dist 9.55426 6.31428 6.75888 5.74871 7.21955 8.71468 numMergedOcc 0
34 mol 59 unq 0 iso 0 dist 6.85766 6.71911 7.29033 9.64444 14.8852 9.2902 numMergedOcc 0
35 mol 59 unq 1 iso 0 dist 7.71095 6.71911 5.33688 9.64444 6.73347 9.2902 numMergedOcc 0
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38 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 5.11416 13.8696 7.10439 numMergedOcc 0
39 mol 73 unq 1 iso 0 dist 5.93252 5.64598 9.77992 8.44406 13.6162 7.10439 numMergedOcc 0
40 mol 73 unq 2 iso 0 dist 9.96396 8.70133 7.41074 5.11416 9.24757 7.10439 numMergedOcc 0
41 mol 73 unq 3 iso 0 dist 6.19304 4.65521 7.41074 6.56633 9.24757 7.10439 numMergedOcc 0
42 mol 73 unq 4 iso 0 dist 9.75218 8.70133 15.9882 5.11416 13.0145 7.10439 numMergedOcc 0
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44 mol 92 unq 1 iso 0 dist 7.4729 5.81965 6.99832 9.50382 6.95572 5.39745 numMergedOcc 0
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46 mol 92 unq 3 iso 0 dist 6.82344 9.70512 6.99832 7.56363 6.95572 5.39745 numMergedOcc 0
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48 mol 100 unq 1 iso 0 dist 7.47343 8.72704 10.1589 10.6245 9.5074 6.0652 numMergedOcc 0
49 mol 100 unq 2 iso 0 dist 8.86688 8.72704 15.9331 10.6245 18.0561 6.0652 numMergedOcc 0
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51 mol 115 unq 1 iso 0 dist 9.33865 7.76729 10.7942 14.0688 13.3009 7.70313 numMergedOcc 0
52 mol 115 unq 2 iso 0 dist 5.83991 7.76729 10.9739 14.0688 17.0848 7.70313 numMergedOcc 0
53 mol 115 unq 3 iso 0 dist 6.11741 7.64585 10.8939 6.40494 12.2743 7.52142 numMergedOcc 0
54 mol 115 unq 4 iso 0 dist 6.11741 6.99777 10.8292 5.22052 11.0224 5.60389 numMergedOcc 0
55 mol 115 unq 5 iso 0 dist 7.88312 6.99777 11.7126 5.22052 12.13 5.60389 numMergedOcc 0
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104 mol 181 unq 7 iso 0 dist 9.15386 6.71012 11.6919 6.6251 12.8533 7.13252 numMergedOcc 0
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128 mol 259 unq 4 iso 0 dist 9.18903 7.48005 12.6649 8.81835 15.8414 8.71497 numMergedOcc 0
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131 mol 264 unq 2 iso 0 dist 6.24356 9.0012 5.12409 7.52936 5.93616 5.91213 numMergedOcc 0
132 mol 264 unq 3 iso 0 dist 6.24356 9.5784 9.67998 7.52936 5.93616 7.34094 numMergedOcc 0
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134 mol 282 unq 1 iso 0 dist 6.33524 7.32347 6.3384 6.6348 10.6906 6.8972 numMergedOcc 0
