0 mol 7 unq 0 iso 0 dist 8.41585 5.99972 12.0193 5.99459 6.88805 6.12483 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 9.68596 14.7759 9.87885 12.8323 10.1841 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 8.72114 13.8829 9.67164 13.156 5.5683 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 9.62879 7.18019 4.36226 9.01112 7.12261 4.1204 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.86014 9.41441 6.66749 7.95042 5.69214 10.0453 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.86116 8.60554 8.52463 8.09311 11.6226 15.4445 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.86116 8.60554 8.52463 9.05357 13.1949 11.8971 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 8.86116 8.44664 10.971 8.09311 11.6226 3.84336 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 8.86116 8.44664 10.971 9.05357 13.1949 7.01276 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 8.86116 9.44691 13.4893 8.09311 11.6226 13.0295 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 8.86116 9.44691 13.4893 9.05357 13.1949 4.02219 numMergedOcc 0
11 mol 24 unq 7 iso 0 dist 8.86116 9.41441 14.012 7.95042 5.11636 10.0453 numMergedOcc 0
12 mol 24 unq 8 iso 0 dist 8.38394 8.60554 12.3994 8.09311 6.17155 15.4445 numMergedOcc 0
13 mol 24 unq 9 iso 0 dist 8.38394 8.60554 12.3994 9.05357 10.3122 11.8971 numMergedOcc 0
14 mol 24 unq 10 iso 0 dist 8.38394 8.44664 5.30734 8.09311 6.17155 3.84336 numMergedOcc 0
15 mol 24 unq 11 iso 0 dist 8.38394 8.44664 5.30734 9.05357 10.3122 7.01276 numMergedOcc 0
16 mol 24 unq 12 iso 0 dist 8.38394 9.44691 12.505 8.09311 6.17155 13.0295 numMergedOcc 0
17 mol 24 unq 13 iso 0 dist 8.38394 9.44691 12.505 9.05357 10.3122 4.02219 numMergedOcc 0
18 mol 24 unq 14 iso 0 dist 5.54419 8.70827 5.59311 6.6219 4.82629 4.04519 numMergedOcc 0
19 mol 24 unq 15 iso 0 dist 5.54419 8.70827 5.59311 5.68215 10.1698 13.7009 numMergedOcc 0
20 mol 24 unq 16 iso 0 dist 5.54419 6.73939 12.176 6.6219 4.82629 12.5545 numMergedOcc 0
21 mol 24 unq 17 iso 0 dist 5.54419 6.73939 12.176 5.68215 10.1698 4.08755 numMergedOcc 0
22 mol 24 unq 18 iso 0 dist 7.36323 9.12854 5.59311 8.87744 6.28159 9.86385 numMergedOcc 0
23 mol 24 unq 19 iso 0 dist 7.36323 9.12854 5.59311 7.27472 5.50396 10.4353 numMergedOcc 0
24 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 7.52933 5.03027 11.0227 numMergedOcc 0
25 mol 25 unq 1 iso 0 dist 5.04899 7.45383 7.33728 6.55597 4.69295 4.98822 numMergedOcc 0
26 mol 25 unq 2 iso 0 dist 5.04899 7.45383 7.33728 9.71956 12.2542 10.3547 numMergedOcc 0
27 mol 25 unq 3 iso 0 dist 5.04899 7.45383 7.33728 7.07751 8.79309 7.91914 numMergedOcc 0
28 mol 25 unq 4 iso 0 dist 5.04899 7.45383 7.33728 8.23761 8.17061 11.7069 numMergedOcc 0
29 mol 25 unq 5 iso 0 dist 5.04899 7.45383 7.33728 9.49421 13.6145 9.62058 numMergedOcc 0
30 mol 25 unq 6 iso 0 dist 5.04899 9.01548 13.9331 7.52933 5.03027 15.1255 numMergedOcc 0
31 mol 25 unq 7 iso 0 dist 5.04899 9.01548 13.9331 6.55597 4.69295 13.4321 numMergedOcc 0
32 mol 25 unq 8 iso 0 dist 5.04899 9.01548 13.9331 9.71956 12.2542 8.84447 numMergedOcc 0
33 mol 25 unq 9 iso 0 dist 5.04899 9.01548 13.9331 7.07751 8.79309 9.66912 numMergedOcc 0
34 mol 25 unq 10 iso 0 dist 5.04899 9.01548 13.9331 8.23761 8.17061 13.1117 numMergedOcc 0
35 mol 25 unq 11 iso 0 dist 5.04899 9.01548 13.9331 9.49421 13.6145 5.38592 numMergedOcc 0
36 mol 25 unq 12 iso 0 dist 5.04899 8.87757 5.77929 7.05196 6.47509 3.904 numMergedOcc 0
37 mol 25 unq 13 iso 0 dist 7.57578 6.16347 9.34396 4.79873 10.2864 5.46578 numMergedOcc 0
38 mol 25 unq 14 iso 0 dist 7.57578 6.16347 9.34396 9.48085 5.18617 9.62058 numMergedOcc 0
39 mol 25 unq 15 iso 0 dist 7.57578 7.92503 6.11127 4.79873 10.2864 11.0175 numMergedOcc 0
40 mol 25 unq 16 iso 0 dist 7.57578 7.92503 6.11127 9.48085 5.18617 10.2758 numMergedOcc 0
41 mol 25 unq 17 iso 0 dist 7.17969 6.16347 10.8498 4.79873 11.4148 5.46578 numMergedOcc 0
42 mol 25 unq 18 iso 0 dist 7.17969 6.16347 10.8498 9.48085 5.68041 9.62058 numMergedOcc 0
43 mol 25 unq 19 iso 0 dist 7.17969 7.92503 5.30154 4.79873 11.4148 11.0175 numMergedOcc 0
44 mol 25 unq 20 iso 0 dist 7.17969 7.92503 5.30154 9.48085 5.68041 10.2758 numMergedOcc 0
45 mol 25 unq 21 iso 0 dist 7.31767 8.6653 5.64303 7.6114 6.10919 10.8122 numMergedOcc 0
46 mol 25 unq 22 iso 0 dist 6.03987 8.6653 5.82503 7.6114 5.86705 10.8122 numMergedOcc 0
47 mol 25 unq 23 iso 0 dist 6.03987 6.85556 5.68392 7.99919 4.77954 6.19011 numMergedOcc 0
48 mol 56 unq 0 iso 0 dist 8.66265 7.16773 6.63327 9.03564 6.75591 9.76482 numMergedOcc 0
49 mol 58 unq 0 iso 0 dist 6.62496 5.93884 5.78774 9.22598 9.87158 5.66912 numMergedOcc 0
50 mol 58 unq 1 iso 0 dist 6.35756 7.68678 5.78774 8.96727 9.87158 5.66912 numMergedOcc 0
51 mol 58 unq 2 iso 0 dist 6.35756 7.68678 5.78774 8.01308 5.86526 5.76523 numMergedOcc 0
52 mol 59 unq 0 iso 0 dist 7.17396 8.08618 6.90592 6.56212 7.31539 5.56986 numMergedOcc 0
53 mol 59 unq 1 iso 0 dist 9.21998 8.08618 7.6021 6.56212 11.1607 5.56986 numMergedOcc 0
54 mol 60 unq 0 iso 0 dist 8.7531 9.90939 7.04075 8.4312 8.62476 5.85676 numMergedOcc 0
55 mol 72 unq 0 iso 0 dist 8.8178 9.27838 15.434 7.12321 4.27726 14.005 numMergedOcc 0
56 mol 72 unq 1 iso 0 dist 9.96708 9.27838 11.6378 7.12321 7.47371 14.005 numMergedOcc 0
57 mol 85 unq 0 iso 0 dist 7.95579 7.54568 10.2865 7.7068 6.36397 4.93735 numMergedOcc 0
58 mol 85 unq 1 iso 0 dist 6.19965 7.54568 8.09967 7.7068 4.41789 4.93735 numMergedOcc 0
59 mol 85 unq 2 iso 0 dist 7.66905 7.54568 4.65335 7.7068 5.59906 4.93735 numMergedOcc 0
60 mol 95 unq 0 iso 0 dist 9.03572 9.49454 13.3662 8.27883 4.99174 15.7954 numMergedOcc 0
61 mol 95 unq 1 iso 0 dist 9.03572 9.49454 13.3662 5.75428 4.46005 10.4348 numMergedOcc 0
62 mol 95 unq 2 iso 0 dist 9.03572 9.49454 13.3662 8.57395 8.28518 5.88327 numMergedOcc 0
63 mol 95 unq 3 iso 0 dist 9.03572 9.49454 13.3662 9.85409 15.917 3.96826 numMergedOcc 0
64 mol 95 unq 4 iso 0 dist 8.83255 9.49454 12.0666 8.27883 8.67311 15.7954 numMergedOcc 0
65 mol 95 unq 5 iso 0 dist 8.83255 9.49454 12.0666 5.75428 3.94293 10.4348 numMergedOcc 0
66 mol 95 unq 6 iso 0 dist 8.83255 9.49454 12.0666 8.57395 9.22202 5.88327 numMergedOcc 0
67 mol 95 unq 7 iso 0 dist 8.83255 9.49454 12.0666 9.85409 13.7484 3.96826 numMergedOcc 0
68 mol 95 unq 8 iso 0 dist 8.03644 9.49454 11.4333 8.27883 15.6249 15.7954 numMergedOcc 0
69 mol 95 unq 9 iso 0 dist 8.03644 9.49454 11.4333 5.75428 12.4896 10.4348 numMergedOcc 0
70 mol 95 unq 10 iso 0 dist 8.03644 9.49454 11.4333 8.57395 14.2178 5.88327 numMergedOcc 0
71 mol 95 unq 11 iso 0 dist 8.03644 9.49454 11.4333 9.85409 8.78079 3.96826 numMergedOcc 0
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74 mol 98 unq 2 iso 0 dist 6.10456 4.47349 7.06961 5.2571 3.9764 3.94967 numMergedOcc 0
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76 mol 100 unq 1 iso 0 dist 8.87449 7.80975 7.97897 9.21662 9.39125 12.48 numMergedOcc 0
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78 mol 100 unq 3 iso 0 dist 6.45675 7.38135 7.11701 5.35782 6.30222 8.00947 numMergedOcc 0
79 mol 100 unq 4 iso 0 dist 7.47343 7.38135 11.2312 7.82475 5.9143 7.55779 numMergedOcc 0
80 mol 100 unq 5 iso 0 dist 7.47343 7.38135 11.2312 5.35782 5.47563 8.00947 numMergedOcc 0
81 mol 100 unq 6 iso 0 dist 8.86688 7.38135 7.79768 7.82475 5.25234 7.55779 numMergedOcc 0
82 mol 100 unq 7 iso 0 dist 8.86688 7.38135 7.79768 5.35782 5.03232 8.00947 numMergedOcc 0
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85 mol 113 unq 1 iso 0 dist 5.86073 9.66219 8.42718 8.80934 5.70579 3.84573 numMergedOcc 0
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87 mol 119 unq 1 iso 0 dist 8.73993 9.23858 9.89358 7.64052 9.68677 15.7711 numMergedOcc 0
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89 mol 119 unq 3 iso 0 dist 6.18601 8.00003 10.4376 8.95212 4.39676 12.3661 numMergedOcc 0
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91 mol 122 unq 1 iso 0 dist 8.37808 9.23819 7.39059 6.00603 6.15636 9.83972 numMergedOcc 0
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93 mol 129 unq 1 iso 0 dist 5.83384 4.97175 7.29399 5.58833 9.00231 4.28744 numMergedOcc 0
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100 mol 134 unq 4 iso 0 dist 9.86662 9.94764 4.57832 8.69531 7.41373 6.93712 numMergedOcc 0
101 mol 134 unq 5 iso 0 dist 9.71307 9.94764 5.29786 9.1998 15.0225 11.5269 numMergedOcc 0
102 mol 134 unq 6 iso 0 dist 9.71307 9.94764 5.29786 8.69531 10.8635 6.93712 numMergedOcc 0
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104 mol 143 unq 1 iso 0 dist 5.99315 7.78652 6.48978 5.40637 7.39837 10.0079 numMergedOcc 0
105 mol 143 unq 2 iso 0 dist 5.99315 8.91301 5.20762 7.36975 13.1926 14.7271 numMergedOcc 0
106 mol 143 unq 3 iso 0 dist 5.99315 8.91301 5.20762 5.40637 7.39837 9.05366 numMergedOcc 0
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108 mol 167 unq 1 iso 0 dist 9.87651 9.67741 13.0123 9.2289 12.0033 8.91275 numMergedOcc 0
109 mol 167 unq 2 iso 0 dist 9.87651 9.67741 13.0123 7.02548 11.6011 5.95858 numMergedOcc 0
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112 mol 181 unq 1 iso 0 dist 8.03334 6.2479 7.81713 9.76212 6.50233 6.39406 numMergedOcc 0
113 mol 181 unq 2 iso 0 dist 7.81386 5.94469 7.77758 6.64173 6.8757 4.98436 numMergedOcc 0
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115 mol 181 unq 4 iso 0 dist 7.81386 5.94469 7.77758 9.55105 5.83796 12.3589 numMergedOcc 0
116 mol 181 unq 5 iso 0 dist 7.63312 5.94469 12.5387 6.64173 10.6474 4.98436 numMergedOcc 0
117 mol 181 unq 6 iso 0 dist 7.63312 5.94469 12.5387 9.01624 5.93724 11.9796 numMergedOcc 0
118 mol 181 unq 7 iso 0 dist 7.63312 5.94469 12.5387 9.55105 5.12833 12.3589 numMergedOcc 0
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124 mol 205 unq 2 iso 0 dist 7.80463 6.03688 6.09749 6.52816 3.56269 5.28417 numMergedOcc 0
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126 mol 205 unq 4 iso 0 dist 7.45763 4.8668 5.8535 6.49765 8.67921 9.86388 numMergedOcc 0
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128 mol 222 unq 1 iso 0 dist 6.00706 9.07471 7.75466 8.36842 6.02502 6.37382 numMergedOcc 0
129 mol 222 unq 2 iso 0 dist 6.00706 9.07471 7.75466 9.75472 5.18677 6.31322 numMergedOcc 0
130 mol 222 unq 3 iso 0 dist 7.54212 9.07471 13.3447 6.74196 12.8595 4.67663 numMergedOcc 0
131 mol 222 unq 4 iso 0 dist 7.54212 9.07471 13.3447 8.36842 12.5866 6.37382 numMergedOcc 0
132 mol 222 unq 5 iso 0 dist 7.54212 9.07471 13.3447 9.75472 11.9567 6.31322 numMergedOcc 0
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134 mol 223 unq 1 iso 0 dist 8.77153 7.48463 11.8654 9.33543 13.1538 3.86668 numMergedOcc 0
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136 mol 223 unq 3 iso 0 dist 8.6166 7.48463 6.05524 9.33543 5.39728 3.86668 numMergedOcc 0
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140 mol 243 unq 1 iso 0 dist 8.23192 8.76935 6.60697 8.67156 9.89868 4.21383 numMergedOcc 0
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142 mol 243 unq 3 iso 0 dist 8.23192 8.47652 4.26017 8.67156 9.89868 6.94795 numMergedOcc 0
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145 mol 259 unq 2 iso 0 dist 7.46176 7.08526 8.81835 5.85442 10.067 4.47425 numMergedOcc 0
146 mol 259 unq 3 iso 0 dist 7.46176 7.08526 8.81835 6.95511 11.6988 4.10176 numMergedOcc 0
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149 mol 292 unq 1 iso 0 dist 8.2734 7.07965 10.8848 8.38121 14.179 13.8468 numMergedOcc 0
