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1 mol 9 unq 0 iso 1 dist 8.57077 6.85412 8.27962 5.60154 8.47421 9.29529 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 8.57077 8.47421 5.60154 11.4878 6.33889 7.2199 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 8.57077 6.33889 11.4878 5.60154 8.47421 7.2199 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 6.82505 9.78051 5.55659 5.51916 7.12903 8.96967 numMergedOcc 0
5 mol 15 unq 0 iso 1 dist 6.82505 7.12903 5.51916 5.55659 9.78051 8.96967 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 7.20519 8.78293 5.31524 5.5841 9.80108 9.95011 numMergedOcc 0
7 mol 19 unq 0 iso 1 dist 7.20519 9.80108 5.5841 5.31524 8.78293 9.95011 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 7.20519 8.23643 11.0832 5.5841 9.80108 13.6944 numMergedOcc 0
9 mol 19 unq 1 iso 1 dist 7.20519 9.80108 5.5841 11.0832 8.23643 13.6944 numMergedOcc 0
10 mol 19 unq 2 iso 0 dist 7.20519 7.82528 10.4988 5.5841 9.80108 10.7418 numMergedOcc 0
11 mol 19 unq 2 iso 1 dist 7.20519 9.80108 5.5841 10.4988 7.82528 10.7418 numMergedOcc 0
12 mol 19 unq 3 iso 0 dist 4.51865 6.20943 4.69858 6.74265 8.58657 10.7418 numMergedOcc 0
13 mol 19 unq 3 iso 1 dist 4.51865 8.58657 6.74265 4.69858 6.20943 10.7418 numMergedOcc 0
14 mol 19 unq 4 iso 0 dist 6.864 8.78293 11.4401 5.5841 8.58657 9.95011 numMergedOcc 0
15 mol 19 unq 4 iso 1 dist 6.864 8.58657 5.5841 11.4401 8.78293 9.95011 numMergedOcc 0
16 mol 19 unq 5 iso 0 dist 6.864 8.23643 12.3093 5.5841 8.58657 13.6944 numMergedOcc 0
17 mol 19 unq 5 iso 1 dist 6.864 8.58657 5.5841 12.3093 8.23643 13.6944 numMergedOcc 0
18 mol 19 unq 6 iso 0 dist 6.864 7.82528 4.69858 5.5841 8.58657 10.7418 numMergedOcc 0
19 mol 19 unq 6 iso 1 dist 6.864 8.58657 5.5841 4.69858 7.82528 10.7418 numMergedOcc 0
20 mol 26 unq 0 iso 0 dist 8.34347 6.73162 7.23546 11.887 9.16962 15.0652 numMergedOcc 0
21 mol 26 unq 0 iso 1 dist 8.34347 9.16962 11.887 7.23546 6.73162 15.0652 numMergedOcc 0
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23 mol 45 unq 0 iso 1 dist 7.58835 9.20119 6.89191 5.67689 6.34173 8.59109 numMergedOcc 0
24 mol 58 unq 0 iso 0 dist 7.32874 8.26899 4.55117 6.75888 6.40841 8.80108 numMergedOcc 0
25 mol 58 unq 0 iso 1 dist 7.32874 6.40841 6.75888 4.55117 8.26899 8.80108 numMergedOcc 0
26 mol 58 unq 1 iso 0 dist 6.86465 9.58673 5.92889 6.47744 8.63333 7.01363 numMergedOcc 0
27 mol 58 unq 1 iso 1 dist 6.86465 8.63333 6.47744 5.92889 9.58673 7.01363 numMergedOcc 0
28 mol 58 unq 2 iso 0 dist 6.62496 9.58673 10.2241 4.67832 9.64665 13.848 numMergedOcc 0
29 mol 58 unq 2 iso 1 dist 6.62496 9.64665 4.67832 10.2241 9.58673 13.848 numMergedOcc 0
30 mol 58 unq 3 iso 0 dist 6.35756 9.58673 7.05413 6.47744 8.89374 7.01363 numMergedOcc 0
31 mol 58 unq 3 iso 1 dist 6.35756 8.89374 6.47744 7.05413 9.58673 7.01363 numMergedOcc 0
32 mol 58 unq 4 iso 0 dist 9.55426 8.26899 10.3782 13.1021 9.73139 12.8396 numMergedOcc 0
33 mol 58 unq 4 iso 1 dist 9.55426 9.73139 13.1021 10.3782 8.26899 12.8396 numMergedOcc 0
34 mol 58 unq 5 iso 0 dist 9.55426 8.26899 10.3782 6.75888 6.31428 8.80108 numMergedOcc 0
35 mol 58 unq 5 iso 1 dist 9.55426 6.31428 6.75888 10.3782 8.26899 8.80108 numMergedOcc 0
36 mol 59 unq 0 iso 0 dist 7.71095 8.24062 5.3525 5.33688 6.71911 6.5096 numMergedOcc 0
37 mol 59 unq 0 iso 1 dist 7.71095 6.71911 5.33688 5.3525 8.24062 6.5096 numMergedOcc 0
38 mol 72 unq 0 iso 0 dist 9.96708 6.77912 7.11552 9.0131 7.321 9.19459 numMergedOcc 0
39 mol 72 unq 0 iso 1 dist 9.96708 7.321 9.0131 7.11552 6.77912 9.19459 numMergedOcc 0
40 mol 72 unq 1 iso 0 dist 9.78528 9.02278 11.6894 6.11922 7.321 13.4823 numMergedOcc 0
41 mol 72 unq 1 iso 1 dist 9.78528 7.321 6.11922 11.6894 9.02278 13.4823 numMergedOcc 0
42 mol 88 unq 0 iso 0 dist 9.36773 9.2603 6.95868 8.4283 8.66514 13.649 numMergedOcc 0
43 mol 88 unq 0 iso 1 dist 9.36773 8.66514 8.4283 6.95868 9.2603 13.649 numMergedOcc 0
44 mol 88 unq 1 iso 0 dist 9.36773 9.2603 6.95868 5.37521 9.25235 12.48 numMergedOcc 0
45 mol 88 unq 1 iso 1 dist 9.36773 9.25235 5.37521 6.95868 9.2603 12.48 numMergedOcc 0
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47 mol 100 unq 0 iso 1 dist 7.47343 7.75343 15.209 10.1589 8.72704 16.0363 numMergedOcc 0
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49 mol 114 unq 0 iso 1 dist 7.35754 7.52743 4.77056 5.33327 8.68821 7.36816 numMergedOcc 0
50 mol 115 unq 0 iso 0 dist 9.33865 9.66954 6.09023 10.7942 7.76729 12.4065 numMergedOcc 0
51 mol 115 unq 0 iso 1 dist 9.33865 7.76729 10.7942 6.09023 9.66954 12.4065 numMergedOcc 0
52 mol 115 unq 1 iso 0 dist 9.33865 7.64585 10.2377 10.7942 7.76729 6.40036 numMergedOcc 0
53 mol 115 unq 1 iso 1 dist 9.33865 7.76729 10.7942 10.2377 7.64585 6.40036 numMergedOcc 0
54 mol 115 unq 2 iso 0 dist 5.83991 8.66155 6.09023 10.9739 7.76729 12.4065 numMergedOcc 0
55 mol 115 unq 2 iso 1 dist 5.83991 7.76729 10.9739 6.09023 8.66155 12.4065 numMergedOcc 0
56 mol 115 unq 3 iso 0 dist 6.11741 9.66954 4.61908 10.8292 6.99777 9.9411 numMergedOcc 0
57 mol 115 unq 3 iso 1 dist 6.11741 6.99777 10.8292 4.61908 9.66954 9.9411 numMergedOcc 0
58 mol 115 unq 4 iso 0 dist 6.11741 9.66954 4.61908 6.12943 9.14376 11.764 numMergedOcc 0
59 mol 115 unq 4 iso 1 dist 6.11741 9.14376 6.12943 4.61908 9.66954 11.764 numMergedOcc 0
60 mol 115 unq 5 iso 0 dist 6.11741 7.64585 10.8939 10.8292 6.99777 17.3282 numMergedOcc 0
61 mol 115 unq 5 iso 1 dist 6.11741 6.99777 10.8292 10.8939 7.64585 17.3282 numMergedOcc 0
62 mol 115 unq 6 iso 0 dist 6.11741 7.64585 10.8939 6.12943 9.14376 12.1188 numMergedOcc 0
63 mol 115 unq 6 iso 1 dist 6.11741 9.14376 6.12943 10.8939 7.64585 12.1188 numMergedOcc 0
64 mol 115 unq 7 iso 0 dist 7.88312 8.66155 4.61908 11.7126 6.99777 9.9411 numMergedOcc 0
65 mol 115 unq 7 iso 1 dist 7.88312 6.99777 11.7126 4.61908 8.66155 9.9411 numMergedOcc 0
66 mol 115 unq 8 iso 0 dist 7.88312 8.66155 4.61908 4.62962 9.14376 11.764 numMergedOcc 0
67 mol 115 unq 8 iso 1 dist 7.88312 9.14376 4.62962 4.61908 8.66155 11.764 numMergedOcc 0
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69 mol 127 unq 0 iso 1 dist 9.30299 9.81878 4.77464 14.085 8.59981 6.3244 numMergedOcc 0
70 mol 127 unq 1 iso 0 dist 9.30299 7.34519 13.1312 4.77464 9.81878 11.7518 numMergedOcc 0
71 mol 127 unq 1 iso 1 dist 9.30299 9.81878 4.77464 13.1312 7.34519 11.7518 numMergedOcc 0
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80 mol 155 unq 4 iso 0 dist 6.43582 9.38946 12.8482 12.1814 9.14392 18.2998 numMergedOcc 0
81 mol 155 unq 4 iso 1 dist 6.43582 9.14392 12.1814 12.8482 9.38946 18.2998 numMergedOcc 0
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84 mol 155 unq 6 iso 0 dist 6.43582 7.36102 8.27726 12.1814 9.14392 13.2154 numMergedOcc 0
85 mol 155 unq 6 iso 1 dist 6.43582 9.14392 12.1814 8.27726 7.36102 13.2154 numMergedOcc 0
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103 mol 181 unq 1 iso 1 dist 5.98885 7.13543 10.0524 5.86342 6.94688 11.7007 numMergedOcc 0
104 mol 181 unq 2 iso 0 dist 5.98885 6.71012 9.14057 5.4601 7.20046 9.94131 numMergedOcc 0
105 mol 181 unq 2 iso 1 dist 5.98885 7.20046 5.4601 9.14057 6.71012 9.94131 numMergedOcc 0
106 mol 181 unq 3 iso 0 dist 5.98885 6.71012 9.14057 10.0524 7.13543 12.8673 numMergedOcc 0
107 mol 181 unq 3 iso 1 dist 5.98885 7.13543 10.0524 9.14057 6.71012 12.8673 numMergedOcc 0
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109 mol 181 unq 4 iso 1 dist 9.15386 9.6668 8.25067 6.80228 6.94688 8.20656 numMergedOcc 0
110 mol 181 unq 5 iso 0 dist 9.15386 6.71012 11.6919 8.25067 9.6668 9.40622 numMergedOcc 0
111 mol 181 unq 5 iso 1 dist 9.15386 9.6668 8.25067 11.6919 6.71012 9.40622 numMergedOcc 0
112 mol 181 unq 6 iso 0 dist 7.81386 4.93785 6.7991 9.53462 7.98142 12.2455 numMergedOcc 0
113 mol 181 unq 6 iso 1 dist 7.81386 7.98142 9.53462 6.7991 4.93785 12.2455 numMergedOcc 0
114 mol 181 unq 7 iso 0 dist 7.81386 4.93785 6.7991 11.1462 7.37327 11.691 numMergedOcc 0
115 mol 181 unq 7 iso 1 dist 7.81386 7.37327 11.1462 6.7991 4.93785 11.691 numMergedOcc 0
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118 mol 181 unq 9 iso 0 dist 7.63312 6.93764 4.80231 13.3389 7.37327 11.1129 numMergedOcc 0
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129 mol 224 unq 1 iso 1 dist 8.95269 6.67585 5.29877 7.98696 6.87664 9.47554 numMergedOcc 0
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133 mol 235 unq 0 iso 1 dist 5.4638 8.21247 4.65302 9.66021 9.58736 11.9287 numMergedOcc 0
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139 mol 239 unq 1 iso 1 dist 7.00034 8.1777 5.39146 7.04058 7.20082 9.95595 numMergedOcc 0
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143 mol 259 unq 0 iso 1 dist 5.30224 6.77938 4.99891 5.31048 8.37865 11.4462 numMergedOcc 0
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145 mol 259 unq 1 iso 1 dist 5.30224 7.76676 5.32839 5.31048 8.37865 9.64797 numMergedOcc 0
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148 mol 282 unq 1 iso 0 dist 6.33524 8.8673 7.36881 6.3384 7.32347 13.4504 numMergedOcc 0
149 mol 282 unq 1 iso 1 dist 6.33524 7.32347 6.3384 7.36881 8.8673 13.4504 numMergedOcc 0
