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1 mol 18 unq 0 iso 1 dist 7.37356 7.53082 7.3094 7.426 9.51761 9.70492 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 7.40392 8.23069 5.54419 8.59466 7.36323 12.3067 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 7.40392 8.59466 7.36323 8.23069 5.54419 12.3067 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.94828 14.2406 7.57578 15.6642 7.17969 4.33106 numMergedOcc 0
5 mol 25 unq 0 iso 1 dist 8.94828 15.6642 7.17969 14.2406 7.57578 4.33106 numMergedOcc 0
6 mol 41 unq 0 iso 0 dist 5.36895 5.07641 7.99312 8.54745 8.2183 5.36342 numMergedOcc 0
7 mol 41 unq 0 iso 1 dist 5.36895 8.54745 8.2183 5.07641 7.99312 5.36342 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.06275 5.5249 8.80331 10.4413 6.20293 8.13395 numMergedOcc 0
9 mol 43 unq 0 iso 1 dist 8.06275 10.4413 6.20293 5.5249 8.80331 8.13395 numMergedOcc 0
10 mol 43 unq 1 iso 0 dist 8.90024 13.9129 8.80331 5.84171 6.20293 8.13395 numMergedOcc 0
11 mol 43 unq 1 iso 1 dist 8.90024 5.84171 6.20293 13.9129 8.80331 8.13395 numMergedOcc 0
12 mol 61 unq 0 iso 0 dist 5.50504 7.62418 6.65721 6.53977 6.72123 6.86346 numMergedOcc 0
13 mol 61 unq 0 iso 1 dist 5.50504 6.53977 6.72123 7.62418 6.65721 6.86346 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 9.43143 10.5786 8.8178 16.2349 9.96708 10.7394 numMergedOcc 0
15 mol 72 unq 0 iso 1 dist 9.43143 16.2349 9.96708 10.5786 8.8178 10.7394 numMergedOcc 0
16 mol 72 unq 1 iso 0 dist 5.48831 13.0773 9.96708 10.5933 9.78528 8.24309 numMergedOcc 0
17 mol 72 unq 1 iso 1 dist 5.48831 10.5933 9.78528 13.0773 9.96708 8.24309 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 9.9795 9.53239 7.97049 13.0232 6.19965 5.42586 numMergedOcc 0
19 mol 85 unq 0 iso 1 dist 9.9795 13.0232 6.19965 9.53239 7.97049 5.42586 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 9.8079 5.182 7.4729 10.571 6.82344 8.95922 numMergedOcc 0
21 mol 92 unq 0 iso 1 dist 9.8079 10.571 6.82344 5.182 7.4729 8.95922 numMergedOcc 0
22 mol 92 unq 1 iso 0 dist 8.3558 15.1474 7.4729 8.66262 6.82344 8.95922 numMergedOcc 0
23 mol 92 unq 1 iso 1 dist 8.3558 8.66262 6.82344 15.1474 7.4729 8.95922 numMergedOcc 0
24 mol 95 unq 0 iso 0 dist 6.86713 10.3731 9.03572 7.4052 8.83255 6.59319 numMergedOcc 0
25 mol 95 unq 0 iso 1 dist 6.86713 7.4052 8.83255 10.3731 9.03572 6.59319 numMergedOcc 0
26 mol 95 unq 1 iso 0 dist 6.86713 10.3731 9.03572 9.70895 8.03644 16.6055 numMergedOcc 0
27 mol 95 unq 1 iso 1 dist 6.86713 9.70895 8.03644 10.3731 9.03572 16.6055 numMergedOcc 0
28 mol 95 unq 1 iso 0 dist 6.86713 7.4052 8.83255 9.70895 8.03644 13.8105 numMergedOcc 0
29 mol 95 unq 1 iso 1 dist 6.86713 9.70895 8.03644 7.4052 8.83255 13.8105 numMergedOcc 0
30 mol 98 unq 0 iso 0 dist 9.83528 12.3158 5.08437 15.1765 6.48948 9.51923 numMergedOcc 0
31 mol 98 unq 0 iso 1 dist 9.83528 15.1765 6.48948 12.3158 5.08437 9.51923 numMergedOcc 0
32 mol 98 unq 1 iso 0 dist 9.83528 12.3158 5.08437 8.06684 6.10456 8.40073 numMergedOcc 0
33 mol 98 unq 1 iso 1 dist 9.83528 8.06684 6.10456 12.3158 5.08437 8.40073 numMergedOcc 0
34 mol 98 unq 1 iso 0 dist 9.83528 15.1765 6.48948 8.06684 6.10456 9.42358 numMergedOcc 0
35 mol 98 unq 1 iso 1 dist 9.83528 8.06684 6.10456 15.1765 6.48948 9.42358 numMergedOcc 0
36 mol 98 unq 2 iso 0 dist 7.54969 11.7493 5.08437 10.3366 6.48948 9.51923 numMergedOcc 0
37 mol 98 unq 2 iso 1 dist 7.54969 10.3366 6.48948 11.7493 5.08437 9.51923 numMergedOcc 0
38 mol 98 unq 3 iso 0 dist 7.54969 11.7493 5.08437 5.15322 6.10456 8.40073 numMergedOcc 0
39 mol 98 unq 3 iso 1 dist 7.54969 5.15322 6.10456 11.7493 5.08437 8.40073 numMergedOcc 0
40 mol 98 unq 3 iso 0 dist 7.54969 10.3366 6.48948 5.15322 6.10456 9.42358 numMergedOcc 0
41 mol 98 unq 3 iso 1 dist 7.54969 5.15322 6.10456 10.3366 6.48948 9.42358 numMergedOcc 0
42 mol 115 unq 0 iso 0 dist 6.23645 4.96719 7.11972 6.47836 6.90986 10.498 numMergedOcc 0
43 mol 115 unq 0 iso 1 dist 6.23645 6.47836 6.90986 4.96719 7.11972 10.498 numMergedOcc 0
44 mol 120 unq 0 iso 0 dist 5.06555 7.75534 8.75408 5.61914 6.44653 5.23036 numMergedOcc 0
45 mol 120 unq 0 iso 1 dist 5.06555 5.61914 6.44653 7.75534 8.75408 5.23036 numMergedOcc 0
46 mol 133 unq 0 iso 0 dist 9.94179 6.75154 6.5107 6.70853 9.52634 9.56949 numMergedOcc 0
47 mol 133 unq 0 iso 1 dist 9.94179 6.70853 9.52634 6.75154 6.5107 9.56949 numMergedOcc 0
48 mol 133 unq 1 iso 0 dist 7.5055 10.9541 8.22656 5.61003 6.82262 5.61668 numMergedOcc 0
49 mol 133 unq 1 iso 1 dist 7.5055 5.61003 6.82262 10.9541 8.22656 5.61668 numMergedOcc 0
50 mol 133 unq 2 iso 0 dist 9.00172 13.2145 6.29155 15.719 6.80239 7.81217 numMergedOcc 0
51 mol 133 unq 2 iso 1 dist 9.00172 15.719 6.80239 13.2145 6.29155 7.81217 numMergedOcc 0
52 mol 133 unq 3 iso 0 dist 9.00172 13.2145 6.29155 14.0905 8.00618 11.965 numMergedOcc 0
53 mol 133 unq 3 iso 1 dist 9.00172 14.0905 8.00618 13.2145 6.29155 11.965 numMergedOcc 0
54 mol 133 unq 3 iso 0 dist 9.00172 15.719 6.80239 14.0905 8.00618 7.79672 numMergedOcc 0
55 mol 133 unq 3 iso 1 dist 9.00172 14.0905 8.00618 15.719 6.80239 7.79672 numMergedOcc 0
56 mol 134 unq 0 iso 0 dist 8.84656 10.879 6.37586 16.7911 9.71307 6.81259 numMergedOcc 0
57 mol 134 unq 0 iso 1 dist 8.84656 16.7911 9.71307 10.879 6.37586 6.81259 numMergedOcc 0
58 mol 134 unq 1 iso 0 dist 4.9155 9.30817 6.54501 10.879 6.49416 5.00526 numMergedOcc 0
59 mol 134 unq 1 iso 1 dist 4.9155 10.879 6.49416 9.30817 6.54501 5.00526 numMergedOcc 0
60 mol 134 unq 2 iso 0 dist 8.49987 6.47843 6.54501 10.9399 6.49416 5.00526 numMergedOcc 0
61 mol 134 unq 2 iso 1 dist 8.49987 10.9399 6.49416 6.47843 6.54501 5.00526 numMergedOcc 0
62 mol 134 unq 3 iso 0 dist 9.42271 6.16353 6.54501 7.07625 6.49416 5.00526 numMergedOcc 0
63 mol 134 unq 3 iso 1 dist 9.42271 7.07625 6.49416 6.16353 6.54501 5.00526 numMergedOcc 0
64 mol 134 unq 4 iso 0 dist 5.79157 13.0109 9.86662 14.1608 9.71307 5.49782 numMergedOcc 0
65 mol 134 unq 4 iso 1 dist 5.79157 14.1608 9.71307 13.0109 9.86662 5.49782 numMergedOcc 0
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67 mol 142 unq 0 iso 1 dist 8.86346 13.5268 7.73169 16.7609 9.2313 5.50998 numMergedOcc 0
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69 mol 142 unq 1 iso 1 dist 8.86346 12.1759 8.96657 16.7609 9.2313 11.1395 numMergedOcc 0
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87 mol 178 unq 1 iso 1 dist 8.04723 10.5681 7.17202 14.4072 6.69288 11.7381 numMergedOcc 0
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91 mol 178 unq 1 iso 1 dist 8.04723 10.5681 7.17202 13.0519 6.43573 9.89739 numMergedOcc 0
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101 mol 220 unq 0 iso 1 dist 8.14644 12.2916 8.24498 12.2116 9.23153 10.5449 numMergedOcc 0
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119 mol 236 unq 3 iso 1 dist 5.77925 10.5925 8.35971 8.93012 6.84306 14.7998 numMergedOcc 0
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122 mol 236 unq 3 iso 0 dist 5.77925 12.1686 9.99038 10.5925 8.35971 10.7497 numMergedOcc 0
123 mol 236 unq 3 iso 1 dist 5.77925 10.5925 8.35971 12.1686 9.99038 10.7497 numMergedOcc 0
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125 mol 236 unq 3 iso 1 dist 5.77925 10.5925 8.35971 5.48757 9.78037 12.0369 numMergedOcc 0
126 mol 236 unq 4 iso 0 dist 8.95071 18.4732 9.99038 12.8358 6.27581 7.28249 numMergedOcc 0
127 mol 236 unq 4 iso 1 dist 8.95071 12.8358 6.27581 18.4732 9.99038 7.28249 numMergedOcc 0
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129 mol 238 unq 0 iso 1 dist 8.97461 11.6506 7.31233 10.4685 6.22714 5.34096 numMergedOcc 0
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133 mol 248 unq 1 iso 1 dist 7.40475 6.86606 8.2965 7.63032 7.69895 10.8081 numMergedOcc 0
134 mol 248 unq 1 iso 0 dist 7.40475 6.42334 7.21521 6.86606 8.2965 5.86196 numMergedOcc 0
135 mol 248 unq 1 iso 1 dist 7.40475 6.86606 8.2965 6.42334 7.21521 5.86196 numMergedOcc 0
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139 mol 261 unq 0 iso 1 dist 9.80409 6.39263 8.45658 4.63237 9.14619 7.00201 numMergedOcc 0
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143 mol 264 unq 1 iso 1 dist 7.36703 5.91731 6.24356 5.28781 9.361 10.3202 numMergedOcc 0
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145 mol 274 unq 0 iso 1 dist 9.13226 11.3302 8.49997 10.7073 7.56915 6.33073 numMergedOcc 0
