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1 mol 0 unq 0 iso 1 dist 9.6994 8.81979 5.63197 9.23213 5.08793 9.14029 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 7.15528 9.23213 10.4498 8.81979 5.52201 9.14029 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 7.15528 8.81979 5.52201 9.23213 10.4498 9.14029 numMergedOcc 0
4 mol 7 unq 0 iso 0 dist 7.10621 7.31201 10.789 9.36807 10.515 6.57017 numMergedOcc 0
5 mol 7 unq 0 iso 1 dist 7.10621 9.36807 10.515 7.31201 10.789 6.57017 numMergedOcc 0
6 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 6.33889 11.4878 5.80437 numMergedOcc 0
7 mol 9 unq 0 iso 1 dist 8.57077 6.33889 11.4878 6.85412 8.27962 5.80437 numMergedOcc 0
8 mol 16 unq 0 iso 0 dist 5.46498 6.58035 5.94084 8.41862 6.73355 10.9633 numMergedOcc 0
9 mol 16 unq 0 iso 1 dist 5.46498 8.41862 6.73355 6.58035 5.94084 10.9633 numMergedOcc 0
10 mol 19 unq 0 iso 0 dist 7.20519 8.78293 5.31524 8.23643 11.0832 12.7954 numMergedOcc 0
11 mol 19 unq 0 iso 1 dist 7.20519 8.23643 11.0832 8.78293 5.31524 12.7954 numMergedOcc 0
12 mol 19 unq 1 iso 0 dist 7.20519 8.78293 5.31524 7.82528 10.4988 14.7664 numMergedOcc 0
13 mol 19 unq 1 iso 1 dist 7.20519 7.82528 10.4988 8.78293 5.31524 14.7664 numMergedOcc 0
14 mol 19 unq 1 iso 0 dist 7.20519 8.23643 11.0832 7.82528 10.4988 11.0033 numMergedOcc 0
15 mol 19 unq 1 iso 1 dist 7.20519 7.82528 10.4988 8.23643 11.0832 11.0033 numMergedOcc 0
16 mol 19 unq 2 iso 0 dist 4.54938 8.78293 10.9543 8.23643 6.55187 12.7954 numMergedOcc 0
17 mol 19 unq 2 iso 1 dist 4.54938 8.23643 6.55187 8.78293 10.9543 12.7954 numMergedOcc 0
18 mol 19 unq 3 iso 0 dist 4.54938 8.78293 10.9543 7.82528 5.14627 14.7664 numMergedOcc 0
19 mol 19 unq 3 iso 1 dist 4.54938 7.82528 5.14627 8.78293 10.9543 14.7664 numMergedOcc 0
20 mol 19 unq 3 iso 0 dist 4.54938 8.23643 6.55187 7.82528 5.14627 11.0033 numMergedOcc 0
21 mol 19 unq 3 iso 1 dist 4.54938 7.82528 5.14627 8.23643 6.55187 11.0033 numMergedOcc 0
22 mol 19 unq 4 iso 0 dist 6.864 8.78293 11.4401 8.23643 12.3093 12.7954 numMergedOcc 0
23 mol 19 unq 4 iso 1 dist 6.864 8.23643 12.3093 8.78293 11.4401 12.7954 numMergedOcc 0
24 mol 19 unq 5 iso 0 dist 6.864 8.78293 11.4401 7.82528 4.69858 14.7664 numMergedOcc 0
25 mol 19 unq 5 iso 1 dist 6.864 7.82528 4.69858 8.78293 11.4401 14.7664 numMergedOcc 0
26 mol 19 unq 5 iso 0 dist 6.864 8.23643 12.3093 7.82528 4.69858 11.0033 numMergedOcc 0
27 mol 19 unq 5 iso 1 dist 6.864 7.82528 4.69858 8.23643 12.3093 11.0033 numMergedOcc 0
28 mol 58 unq 0 iso 0 dist 6.64012 6.46761 5.24906 7.58407 5.11205 6.44201 numMergedOcc 0
29 mol 58 unq 0 iso 1 dist 6.64012 7.58407 5.11205 6.46761 5.24906 6.44201 numMergedOcc 0
30 mol 58 unq 1 iso 0 dist 9.4099 9.73139 5.24906 6.31428 5.11205 6.44201 numMergedOcc 0
31 mol 58 unq 1 iso 1 dist 9.4099 6.31428 5.11205 9.73139 5.24906 6.44201 numMergedOcc 0
32 mol 58 unq 2 iso 0 dist 9.55426 9.73139 13.1021 6.31428 6.75888 6.44201 numMergedOcc 0
33 mol 58 unq 2 iso 1 dist 9.55426 6.31428 6.75888 9.73139 13.1021 6.44201 numMergedOcc 0
34 mol 70 unq 0 iso 0 dist 9.65964 7.92394 6.65811 9.93423 5.47516 4.25121 numMergedOcc 0
35 mol 70 unq 0 iso 1 dist 9.65964 9.93423 5.47516 7.92394 6.65811 4.25121 numMergedOcc 0
36 mol 70 unq 1 iso 0 dist 9.65964 7.92394 6.65811 9.34122 11.0952 13.6636 numMergedOcc 0
37 mol 70 unq 1 iso 1 dist 9.65964 9.34122 11.0952 7.92394 6.65811 13.6636 numMergedOcc 0
38 mol 70 unq 1 iso 0 dist 9.65964 9.93423 5.47516 9.34122 11.0952 12.434 numMergedOcc 0
39 mol 70 unq 1 iso 1 dist 9.65964 9.34122 11.0952 9.93423 5.47516 12.434 numMergedOcc 0
40 mol 88 unq 0 iso 0 dist 9.36773 8.66514 8.4283 9.25235 5.37521 4.61166 numMergedOcc 0
41 mol 88 unq 0 iso 1 dist 9.36773 9.25235 5.37521 8.66514 8.4283 4.61166 numMergedOcc 0
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43 mol 115 unq 0 iso 1 dist 9.33865 7.64585 10.2377 9.66954 6.09023 12.0796 numMergedOcc 0
44 mol 115 unq 1 iso 0 dist 6.11741 9.66954 4.61908 7.64585 10.8939 12.0796 numMergedOcc 0
45 mol 115 unq 1 iso 1 dist 6.11741 7.64585 10.8939 9.66954 4.61908 12.0796 numMergedOcc 0
46 mol 115 unq 2 iso 0 dist 6.11741 6.99777 10.8292 9.14376 6.12943 11.889 numMergedOcc 0
47 mol 115 unq 2 iso 1 dist 6.11741 9.14376 6.12943 6.99777 10.8292 11.889 numMergedOcc 0
48 mol 115 unq 3 iso 0 dist 7.88312 6.99777 11.7126 9.14376 4.62962 11.889 numMergedOcc 0
49 mol 115 unq 3 iso 1 dist 7.88312 9.14376 4.62962 6.99777 11.7126 11.889 numMergedOcc 0
50 mol 119 unq 0 iso 0 dist 9.87172 9.38288 11.7228 6.19042 6.35763 6.59581 numMergedOcc 0
51 mol 119 unq 0 iso 1 dist 9.87172 6.19042 6.35763 9.38288 11.7228 6.59581 numMergedOcc 0
52 mol 119 unq 1 iso 0 dist 9.87172 9.38288 11.7228 7.44174 7.36192 11.6138 numMergedOcc 0
53 mol 119 unq 1 iso 1 dist 9.87172 7.44174 7.36192 9.38288 11.7228 11.6138 numMergedOcc 0
54 mol 119 unq 1 iso 0 dist 9.87172 6.19042 6.35763 7.44174 7.36192 8.58342 numMergedOcc 0
55 mol 119 unq 1 iso 1 dist 9.87172 7.44174 7.36192 6.19042 6.35763 8.58342 numMergedOcc 0
56 mol 119 unq 2 iso 0 dist 6.18601 9.80862 9.35964 8.43904 10.3457 4.84196 numMergedOcc 0
57 mol 119 unq 2 iso 1 dist 6.18601 8.43904 10.3457 9.80862 9.35964 4.84196 numMergedOcc 0
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59 mol 127 unq 0 iso 1 dist 8.14887 7.34519 7.41404 8.59981 14.9761 12.7129 numMergedOcc 0
60 mol 127 unq 1 iso 0 dist 9.30299 8.59981 14.085 7.34519 13.1312 12.7129 numMergedOcc 0
61 mol 127 unq 1 iso 1 dist 9.30299 7.34519 13.1312 8.59981 14.085 12.7129 numMergedOcc 0
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63 mol 130 unq 0 iso 1 dist 8.70949 8.74308 6.76754 6.89257 8.84655 6.09983 numMergedOcc 0
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69 mol 155 unq 1 iso 1 dist 7.46303 7.51198 5.86939 9.14392 6.3845 7.63368 numMergedOcc 0
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73 mol 155 unq 3 iso 1 dist 6.43582 7.51198 6.34186 9.14392 12.1814 7.63368 numMergedOcc 0
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79 mol 181 unq 2 iso 1 dist 5.98885 7.13543 10.0524 7.20046 5.4601 6.33699 numMergedOcc 0
80 mol 181 unq 3 iso 0 dist 9.09537 7.20046 6.14208 7.13543 5.95965 6.33699 numMergedOcc 0
81 mol 181 unq 3 iso 1 dist 9.09537 7.13543 5.95965 7.20046 6.14208 6.33699 numMergedOcc 0
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83 mol 181 unq 4 iso 1 dist 9.15386 6.71012 11.6919 6.94688 6.80228 5.3528 numMergedOcc 0
84 mol 181 unq 5 iso 0 dist 7.81386 7.98142 9.53462 7.37327 11.1462 6.46849 numMergedOcc 0
85 mol 181 unq 5 iso 1 dist 7.81386 7.37327 11.1462 7.98142 9.53462 6.46849 numMergedOcc 0
86 mol 181 unq 6 iso 0 dist 7.63312 7.98142 9.60512 7.37327 13.3389 6.46849 numMergedOcc 0
87 mol 181 unq 6 iso 1 dist 7.63312 7.37327 13.3389 7.98142 9.60512 6.46849 numMergedOcc 0
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90 mol 197 unq 1 iso 0 dist 8.56633 8.99696 9.82139 9.96638 5.69148 8.44549 numMergedOcc 0
91 mol 197 unq 1 iso 1 dist 8.56633 9.96638 5.69148 8.99696 9.82139 8.44549 numMergedOcc 0
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93 mol 197 unq 1 iso 1 dist 8.56633 9.96638 5.69148 7.85058 8.72637 10.0338 numMergedOcc 0
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99 mol 214 unq 2 iso 1 dist 8.85478 6.1175 12.8334 6.97182 8.47007 5.93129 numMergedOcc 0
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101 mol 220 unq 0 iso 1 dist 9.23153 6.99002 15.9568 6.84247 6.7067 11.5311 numMergedOcc 0
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103 mol 220 unq 1 iso 1 dist 8.24498 6.99002 11.1321 6.84247 6.05129 11.5311 numMergedOcc 0
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111 mol 234 unq 1 iso 1 dist 6.7625 7.85175 11.4315 9.5707 14.4106 5.32617 numMergedOcc 0
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115 mol 236 unq 1 iso 1 dist 6.84306 6.68463 11.6837 7.17676 11.3552 7.88539 numMergedOcc 0
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117 mol 236 unq 2 iso 1 dist 9.99038 6.68463 8.8265 7.17676 6.04825 7.88539 numMergedOcc 0
118 mol 236 unq 3 iso 0 dist 9.78037 7.17676 12.6468 6.68463 5.80136 7.88539 numMergedOcc 0
119 mol 236 unq 3 iso 1 dist 9.78037 6.68463 5.80136 7.17676 12.6468 7.88539 numMergedOcc 0
120 mol 236 unq 4 iso 0 dist 8.35971 7.17676 6.40312 6.68463 6.2568 7.88539 numMergedOcc 0
121 mol 236 unq 4 iso 1 dist 8.35971 6.68463 6.2568 7.17676 6.40312 7.88539 numMergedOcc 0
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125 mol 238 unq 1 iso 1 dist 7.31233 7.67322 12.6986 6.55759 10.4664 10.677 numMergedOcc 0
126 mol 238 unq 2 iso 0 dist 7.31233 6.55759 10.4664 7.19008 5.17471 12.1411 numMergedOcc 0
127 mol 238 unq 2 iso 1 dist 7.31233 7.19008 5.17471 6.55759 10.4664 12.1411 numMergedOcc 0
128 mol 238 unq 1 iso 0 dist 7.31233 7.02475 11.2717 7.67322 12.6986 5.44694 numMergedOcc 0
129 mol 238 unq 1 iso 1 dist 7.31233 7.67322 12.6986 7.02475 11.2717 5.44694 numMergedOcc 0
130 mol 238 unq 2 iso 0 dist 7.31233 7.02475 11.2717 7.19008 5.17471 10.1756 numMergedOcc 0
131 mol 238 unq 2 iso 1 dist 7.31233 7.19008 5.17471 7.02475 11.2717 10.1756 numMergedOcc 0
132 mol 238 unq 2 iso 0 dist 7.31233 7.67322 12.6986 7.19008 5.17471 9.50847 numMergedOcc 0
133 mol 238 unq 2 iso 1 dist 7.31233 7.19008 5.17471 7.67322 12.6986 9.50847 numMergedOcc 0
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135 mol 239 unq 0 iso 1 dist 7.00034 8.1777 5.39146 7.39747 6.26168 4.89061 numMergedOcc 0
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137 mol 259 unq 0 iso 1 dist 5.30224 7.76676 5.32839 6.77938 4.99891 6.1415 numMergedOcc 0
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139 mol 264 unq 0 iso 1 dist 9.361 9.5784 9.85579 9.0012 9.74238 6.20393 numMergedOcc 0
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141 mol 264 unq 1 iso 1 dist 6.24356 9.5784 9.67998 9.0012 5.12409 6.20393 numMergedOcc 0
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143 mol 272 unq 0 iso 1 dist 9.97651 6.16449 4.72202 9.09992 10.841 9.75529 numMergedOcc 0
144 mol 272 unq 1 iso 0 dist 8.46116 9.09992 5.63139 6.16449 8.52877 9.75529 numMergedOcc 0
145 mol 272 unq 1 iso 1 dist 8.46116 6.16449 8.52877 9.09992 5.63139 9.75529 numMergedOcc 0
