0 mol 7 unq 0 iso 0 dist 8.41585 6.36911 6.06176 9.87885 12.8323 7.92429 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 7.31201 10.789 6.1206 7.12508 4.40641 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 7.31201 10.789 7.67927 11.143 5.03278 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.10621 9.36807 10.515 6.1206 7.12508 7.92429 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 7.10621 9.36807 10.515 7.67927 11.143 11.2233 numMergedOcc 0
5 mol 9 unq 0 iso 0 dist 8.57077 8.47421 5.60154 8.55451 8.69454 5.66192 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 8.57077 8.47421 5.60154 5.8245 5.84314 3.91075 numMergedOcc 0
7 mol 16 unq 0 iso 0 dist 5.05803 7.03948 6.2983 6.42835 5.01101 9.87867 numMergedOcc 0
8 mol 16 unq 1 iso 0 dist 5.05803 7.03948 6.2983 6.57331 4.65873 4.68733 numMergedOcc 0
9 mol 16 unq 2 iso 0 dist 6.31718 5.47769 6.2983 8.43054 4.65873 4.68733 numMergedOcc 0
10 mol 16 unq 3 iso 0 dist 7.63133 5.47769 5.94084 8.43054 9.81307 4.68733 numMergedOcc 0
11 mol 25 unq 0 iso 0 dist 7.31767 7.685 8.43188 7.6114 6.10919 7.1845 numMergedOcc 0
12 mol 25 unq 1 iso 0 dist 6.03987 7.685 10.3635 7.6114 5.86705 7.1845 numMergedOcc 0
13 mol 45 unq 0 iso 0 dist 7.2846 6.34173 4.71384 9.33906 6.42339 6.00679 numMergedOcc 0
14 mol 45 unq 1 iso 0 dist 7.58835 6.34173 5.67689 9.33906 5.1274 6.00679 numMergedOcc 0
15 mol 58 unq 0 iso 0 dist 7.32874 6.40841 6.75888 8.69057 5.61579 11.0945 numMergedOcc 0
16 mol 58 unq 1 iso 0 dist 6.62496 9.64665 4.67832 9.22598 9.87158 8.59939 numMergedOcc 0
17 mol 58 unq 2 iso 0 dist 6.35756 8.89374 6.47744 8.96727 9.87158 14.6599 numMergedOcc 0
18 mol 58 unq 3 iso 0 dist 6.35756 8.89374 6.47744 8.01308 5.86526 9.47022 numMergedOcc 0
19 mol 64 unq 0 iso 0 dist 9.67592 8.68586 5.3948 9.86334 5.16015 8.84224 numMergedOcc 0
20 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 7.12321 4.27726 9.88768 numMergedOcc 0
21 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 7.12321 7.47371 9.88768 numMergedOcc 0
22 mol 72 unq 2 iso 0 dist 9.96708 7.321 9.0131 9.55118 5.69391 6.74416 numMergedOcc 0
23 mol 72 unq 3 iso 0 dist 9.96708 7.321 9.0131 9.10345 13.4212 5.63793 numMergedOcc 0
24 mol 72 unq 4 iso 0 dist 9.78528 9.02278 11.6894 6.21799 7.47371 5.5067 numMergedOcc 0
25 mol 72 unq 5 iso 0 dist 9.78528 9.02278 11.6894 5.03251 9.67587 4.01021 numMergedOcc 0
26 mol 72 unq 6 iso 0 dist 9.78528 9.02278 11.6894 7.66093 7.07356 6.40102 numMergedOcc 0
27 mol 72 unq 7 iso 0 dist 9.78528 7.321 6.11922 9.55118 9.78221 6.74416 numMergedOcc 0
28 mol 72 unq 8 iso 0 dist 9.78528 7.321 6.11922 9.10345 11.6634 5.63793 numMergedOcc 0
29 mol 73 unq 0 iso 0 dist 9.38498 8.70133 13.4082 9.73086 17.4121 6.15714 numMergedOcc 0
30 mol 73 unq 1 iso 0 dist 9.96396 8.70133 7.41074 9.73086 5.70116 6.15714 numMergedOcc 0
31 mol 73 unq 2 iso 0 dist 6.19304 4.65521 7.41074 8.68662 6.20232 6.10063 numMergedOcc 0
32 mol 73 unq 3 iso 0 dist 6.19304 4.65521 7.41074 7.4369 5.70116 6.15714 numMergedOcc 0
33 mol 73 unq 4 iso 0 dist 9.75218 8.70133 15.9882 9.73086 14.844 6.15714 numMergedOcc 0
34 mol 76 unq 0 iso 0 dist 6.97941 9.49449 6.06861 9.6952 8.66662 14.5852 numMergedOcc 0
35 mol 86 unq 0 iso 0 dist 9.5497 7.79359 9.68893 7.90423 6.98209 9.49725 numMergedOcc 0
36 mol 88 unq 0 iso 0 dist 9.36773 8.66514 8.4283 7.80898 12.1193 7.15936 numMergedOcc 0
37 mol 88 unq 1 iso 0 dist 9.36773 9.25235 5.37521 7.80898 12.1193 10.8763 numMergedOcc 0
38 mol 92 unq 0 iso 0 dist 7.4729 5.81965 6.99832 8.3773 4.46885 7.94489 numMergedOcc 0
39 mol 100 unq 0 iso 0 dist 6.45675 8.72704 7.2495 7.82475 5.43561 12.5061 numMergedOcc 0
40 mol 100 unq 1 iso 0 dist 6.45675 8.72704 7.2495 5.35782 6.30222 12.1093 numMergedOcc 0
41 mol 100 unq 2 iso 0 dist 7.47343 8.72704 10.1589 7.82475 5.9143 12.5061 numMergedOcc 0
42 mol 100 unq 3 iso 0 dist 7.47343 8.72704 10.1589 5.35782 5.47563 12.1093 numMergedOcc 0
43 mol 100 unq 4 iso 0 dist 8.86688 8.72704 15.9331 7.82475 5.25234 12.5061 numMergedOcc 0
44 mol 100 unq 5 iso 0 dist 8.86688 8.72704 15.9331 5.35782 5.03232 12.1093 numMergedOcc 0
45 mol 109 unq 0 iso 0 dist 8.69985 5.87358 9.46098 7.07971 4.69373 5.15674 numMergedOcc 0
46 mol 115 unq 0 iso 0 dist 7.30858 8.66155 11.3902 7.69765 10.3209 9.13361 numMergedOcc 0
47 mol 115 unq 1 iso 0 dist 7.30858 8.66155 11.3902 9.42082 15.3161 6.49835 numMergedOcc 0
48 mol 115 unq 2 iso 0 dist 9.33865 9.66954 6.09023 6.39384 6.63111 6.49835 numMergedOcc 0
49 mol 115 unq 3 iso 0 dist 9.33865 7.64585 10.2377 6.39384 6.63111 5.65471 numMergedOcc 0
50 mol 115 unq 4 iso 0 dist 9.33865 7.76729 10.7942 6.24825 6.95773 5.78043 numMergedOcc 0
51 mol 115 unq 5 iso 0 dist 5.83991 8.66155 6.09023 7.69765 4.48636 9.13361 numMergedOcc 0
52 mol 115 unq 6 iso 0 dist 5.83991 8.66155 6.09023 9.42082 6.63111 6.49835 numMergedOcc 0
53 mol 115 unq 7 iso 0 dist 5.83991 7.76729 10.9739 6.24825 6.01673 5.78043 numMergedOcc 0
54 mol 115 unq 8 iso 0 dist 6.11741 9.66954 4.61908 6.39384 6.07067 6.49835 numMergedOcc 0
55 mol 115 unq 9 iso 0 dist 6.11741 7.64585 10.8939 6.39384 6.07067 5.65471 numMergedOcc 0
56 mol 115 unq 10 iso 0 dist 7.88312 8.66155 4.61908 7.69765 11.835 9.13361 numMergedOcc 0
57 mol 115 unq 11 iso 0 dist 7.88312 8.66155 4.61908 9.42082 6.07067 6.49835 numMergedOcc 0
58 mol 117 unq 0 iso 0 dist 9.84395 6.62561 11.3679 6.10127 6.57678 6.95589 numMergedOcc 0
59 mol 117 unq 1 iso 0 dist 7.90328 6.62561 4.91401 6.10127 10.5783 6.95589 numMergedOcc 0
60 mol 117 unq 2 iso 0 dist 7.83136 7.63616 4.91401 8.19331 3.55765 5.56883 numMergedOcc 0
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62 mol 132 unq 0 iso 0 dist 7.7059 6.03703 9.92344 6.89918 12.9631 6.545 numMergedOcc 0
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65 mol 134 unq 2 iso 0 dist 6.37586 5.42582 5.41704 7.93372 8.06642 5.67107 numMergedOcc 0
66 mol 134 unq 3 iso 0 dist 9.86662 8.79571 6.17103 7.21868 4.00092 5.67107 numMergedOcc 0
67 mol 134 unq 4 iso 0 dist 9.71307 5.42582 6.17103 9.33924 10.2026 6.0991 numMergedOcc 0
68 mol 134 unq 5 iso 0 dist 9.71307 5.42582 6.17103 7.93372 4.00092 5.67107 numMergedOcc 0
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70 mol 142 unq 1 iso 0 dist 9.2313 7.15475 9.49653 7.18002 13.5913 12.2806 numMergedOcc 0
71 mol 142 unq 2 iso 0 dist 5.31024 9.07935 9.49653 6.14151 4.67662 5.26247 numMergedOcc 0
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73 mol 142 unq 4 iso 0 dist 7.73169 7.15475 7.53854 7.18002 9.99555 12.2806 numMergedOcc 0
74 mol 142 unq 5 iso 0 dist 7.26382 9.07935 7.53854 6.14151 5.81599 5.26247 numMergedOcc 0
75 mol 142 unq 6 iso 0 dist 8.96657 7.15475 10.3477 7.81207 11.1 5.26247 numMergedOcc 0
76 mol 142 unq 7 iso 0 dist 8.96657 7.15475 10.3477 7.18002 6.52253 12.2806 numMergedOcc 0
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80 mol 155 unq 3 iso 0 dist 6.43582 7.51198 6.34186 8.97626 4.91785 4.48516 numMergedOcc 0
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82 mol 167 unq 1 iso 0 dist 9.87651 8.62646 6.58937 9.2289 12.0033 7.0046 numMergedOcc 0
83 mol 167 unq 2 iso 0 dist 9.87651 8.62646 6.58937 7.02548 11.6011 6.24722 numMergedOcc 0
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87 mol 178 unq 2 iso 0 dist 7.17202 8.96511 12.075 9.11204 14.9499 5.87125 numMergedOcc 0
88 mol 178 unq 3 iso 0 dist 8.81551 8.96511 9.92132 9.11204 14.2467 5.87125 numMergedOcc 0
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90 mol 181 unq 1 iso 0 dist 7.81386 7.98142 9.53462 9.01624 5.71898 12.2513 numMergedOcc 0
91 mol 181 unq 2 iso 0 dist 7.81386 7.98142 9.53462 9.55105 5.83796 10.2172 numMergedOcc 0
92 mol 181 unq 3 iso 0 dist 7.81386 7.37327 11.1462 6.64173 6.8757 4.88823 numMergedOcc 0
93 mol 181 unq 4 iso 0 dist 7.81386 7.37327 11.1462 9.01624 5.71898 14.8923 numMergedOcc 0
94 mol 181 unq 5 iso 0 dist 7.81386 7.37327 11.1462 9.55105 5.83796 14.2334 numMergedOcc 0
95 mol 181 unq 6 iso 0 dist 7.63312 7.98142 9.60512 6.64173 10.6474 4.48306 numMergedOcc 0
96 mol 181 unq 7 iso 0 dist 7.63312 7.98142 9.60512 9.01624 5.93724 12.2513 numMergedOcc 0
97 mol 181 unq 8 iso 0 dist 7.63312 7.98142 9.60512 9.55105 5.12833 10.2172 numMergedOcc 0
98 mol 181 unq 9 iso 0 dist 7.63312 7.37327 13.3389 6.64173 10.6474 4.88823 numMergedOcc 0
99 mol 181 unq 10 iso 0 dist 7.63312 7.37327 13.3389 9.01624 5.93724 14.8923 numMergedOcc 0
100 mol 181 unq 11 iso 0 dist 7.63312 7.37327 13.3389 9.55105 5.12833 14.2334 numMergedOcc 0
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102 mol 192 unq 1 iso 0 dist 5.59424 8.36822 5.71262 5.64942 6.35474 10.1087 numMergedOcc 0
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107 mol 205 unq 1 iso 0 dist 7.26832 9.19704 6.23291 6.52816 13.514 13.4094 numMergedOcc 0
108 mol 205 unq 2 iso 0 dist 7.80463 9.19704 13.231 6.52816 3.56269 13.4094 numMergedOcc 0
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112 mol 214 unq 3 iso 0 dist 7.14453 6.1175 5.06792 7.46481 8.459 10.9581 numMergedOcc 0
113 mol 214 unq 4 iso 0 dist 8.85478 6.97182 8.47007 7.46481 11.1534 11.357 numMergedOcc 0
114 mol 214 unq 5 iso 0 dist 8.85478 6.1175 12.8334 7.46481 11.1534 10.9581 numMergedOcc 0
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127 mol 236 unq 1 iso 0 dist 7.68742 5.34718 11.3552 9.3206 4.89609 13.0765 numMergedOcc 0
128 mol 236 unq 2 iso 0 dist 6.27581 5.34718 6.04825 9.3206 10.5774 13.0765 numMergedOcc 0
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131 mol 238 unq 2 iso 0 dist 7.31233 7.02475 11.2717 9.12776 10.3162 13.037 numMergedOcc 0
132 mol 238 unq 3 iso 0 dist 7.31233 7.67322 12.6986 9.12776 10.3162 9.75095 numMergedOcc 0
133 mol 238 unq 4 iso 0 dist 7.31233 7.19008 5.17471 9.12776 10.3162 6.12722 numMergedOcc 0
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137 mol 259 unq 2 iso 0 dist 7.84554 7.48005 11.8736 9.63573 5.05362 9.98303 numMergedOcc 0
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139 mol 259 unq 4 iso 0 dist 7.46176 7.48005 5.79468 9.63573 5.21606 9.98303 numMergedOcc 0
140 mol 259 unq 5 iso 0 dist 7.46176 7.48005 5.79468 7.66153 11.8896 14.0829 numMergedOcc 0
141 mol 259 unq 6 iso 0 dist 5.30224 6.77938 4.99891 8.03219 4.04513 8.90322 numMergedOcc 0
142 mol 259 unq 7 iso 0 dist 5.30224 6.77938 4.99891 6.9899 7.09907 9.2872 numMergedOcc 0
143 mol 259 unq 8 iso 0 dist 5.30224 7.76676 5.32839 8.03219 4.04513 7.27192 numMergedOcc 0
144 mol 259 unq 9 iso 0 dist 5.30224 7.76676 5.32839 6.9899 7.09907 4.61451 numMergedOcc 0
145 mol 259 unq 10 iso 0 dist 9.18903 7.48005 12.6649 9.63573 7.46841 9.98303 numMergedOcc 0
146 mol 259 unq 11 iso 0 dist 9.18903 7.48005 12.6649 7.66153 5.81576 14.0829 numMergedOcc 0
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148 mol 276 unq 1 iso 0 dist 6.87396 8.76347 6.4102 8.6759 8.26321 13.5196 numMergedOcc 0
149 mol 277 unq 0 iso 0 dist 9.7748 9.41725 6.58374 9.35539 11.4555 7.07508 numMergedOcc 0
150 mol 277 unq 1 iso 0 dist 9.7748 9.41725 6.58374 8.9682 17.6038 18.3854 numMergedOcc 0
151 mol 277 unq 2 iso 0 dist 9.7748 9.41725 6.58374 6.92711 14.772 16.1088 numMergedOcc 0
