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1 mol 7 unq 0 iso 1 dist 5.99459 12.2041 9.67164 6.06176 8.81608 10.515 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.48085 10.9391 9.49421 12.1492 8.53931 4.70708 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 9.49421 10.9391 9.48085 4.70708 8.53931 12.1492 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 8.66539 5.79773 5.38524 10.8078 7.03126 5.98837 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 5.38524 5.79773 8.66539 5.98837 7.03126 10.8078 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 8.66539 5.79773 5.38524 6.35371 9.68228 8.48255 numMergedOcc 0
7 mol 58 unq 1 iso 1 dist 5.38524 5.79773 8.66539 8.48255 9.68228 6.35371 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 8.66539 10.8779 8.69057 10.8078 7.03126 4.55117 numMergedOcc 0
9 mol 58 unq 2 iso 1 dist 8.69057 10.8779 8.66539 4.55117 7.03126 10.8078 numMergedOcc 0
10 mol 58 unq 3 iso 0 dist 8.66539 10.8779 8.69057 6.35371 9.68228 13.3401 numMergedOcc 0
11 mol 58 unq 3 iso 1 dist 8.69057 10.8779 8.66539 13.3401 9.68228 6.35371 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 5.38524 5.47421 8.69057 5.98837 7.03126 4.55117 numMergedOcc 0
13 mol 58 unq 2 iso 1 dist 8.69057 5.47421 5.38524 4.55117 7.03126 5.98837 numMergedOcc 0
14 mol 58 unq 3 iso 0 dist 5.38524 5.47421 8.69057 8.48255 9.68228 13.3401 numMergedOcc 0
15 mol 58 unq 3 iso 1 dist 8.69057 5.47421 5.38524 13.3401 9.68228 8.48255 numMergedOcc 0
16 mol 58 unq 4 iso 0 dist 9.97769 5.23069 9.32706 10.3598 8.13051 6.00578 numMergedOcc 0
17 mol 58 unq 4 iso 1 dist 9.32706 5.23069 9.97769 6.00578 8.13051 10.3598 numMergedOcc 0
18 mol 58 unq 5 iso 0 dist 9.97769 7.5247 9.08221 10.3598 8.13051 11.6697 numMergedOcc 0
19 mol 58 unq 5 iso 1 dist 9.08221 7.5247 9.97769 11.6697 8.13051 10.3598 numMergedOcc 0
20 mol 58 unq 5 iso 0 dist 9.32706 10.0658 9.08221 6.00578 8.13051 11.6697 numMergedOcc 0
21 mol 58 unq 5 iso 1 dist 9.08221 10.0658 9.32706 11.6697 8.13051 6.00578 numMergedOcc 0
22 mol 62 unq 0 iso 0 dist 9.69044 8.62608 6.9103 11.7069 9.1062 5.49555 numMergedOcc 0
23 mol 62 unq 0 iso 1 dist 6.9103 8.62608 9.69044 5.49555 9.1062 11.7069 numMergedOcc 0
24 mol 72 unq 0 iso 0 dist 9.74228 5.36766 7.12321 6.00418 9.14817 9.0131 numMergedOcc 0
25 mol 72 unq 0 iso 1 dist 7.12321 5.36766 9.74228 9.0131 9.14817 6.00418 numMergedOcc 0
26 mol 72 unq 1 iso 0 dist 9.74228 7.04035 6.21799 6.00418 9.14817 6.11922 numMergedOcc 0
27 mol 72 unq 1 iso 1 dist 6.21799 7.04035 9.74228 6.11922 9.14817 6.00418 numMergedOcc 0
28 mol 72 unq 1 iso 0 dist 7.12321 8.24309 6.21799 9.0131 9.14817 6.11922 numMergedOcc 0
29 mol 72 unq 1 iso 1 dist 6.21799 8.24309 7.12321 6.11922 9.14817 9.0131 numMergedOcc 0
30 mol 72 unq 2 iso 0 dist 5.03251 5.8486 9.56773 6.11922 9.76686 9.93049 numMergedOcc 0
31 mol 72 unq 2 iso 1 dist 9.56773 5.8486 5.03251 9.93049 9.76686 6.11922 numMergedOcc 0
32 mol 78 unq 0 iso 0 dist 6.85523 7.19663 8.65848 4.92509 5.47706 5.22036 numMergedOcc 0
33 mol 78 unq 0 iso 1 dist 8.65848 7.19663 6.85523 5.22036 5.47706 4.92509 numMergedOcc 0
34 mol 98 unq 0 iso 0 dist 5.10496 9.51923 5.92242 8.70415 6.61111 9.74284 numMergedOcc 0
35 mol 98 unq 0 iso 1 dist 5.92242 9.51923 5.10496 9.74284 6.61111 8.70415 numMergedOcc 0
36 mol 98 unq 1 iso 0 dist 5.10496 8.40073 5.2571 8.70415 6.61111 10.0962 numMergedOcc 0
37 mol 98 unq 1 iso 1 dist 5.2571 8.40073 5.10496 10.0962 6.61111 8.70415 numMergedOcc 0
38 mol 98 unq 2 iso 0 dist 5.10496 10.2427 8.7497 8.70415 6.61111 11.2452 numMergedOcc 0
39 mol 98 unq 2 iso 1 dist 8.7497 10.2427 5.10496 11.2452 6.61111 8.70415 numMergedOcc 0
40 mol 98 unq 3 iso 0 dist 9.64383 13.659 7.54889 12.0058 4.44979 10.0962 numMergedOcc 0
41 mol 98 unq 3 iso 1 dist 7.54889 13.659 9.64383 10.0962 4.44979 12.0058 numMergedOcc 0
42 mol 98 unq 4 iso 0 dist 9.64383 14.591 7.78931 12.0058 4.44979 11.2452 numMergedOcc 0
43 mol 98 unq 4 iso 1 dist 7.78931 14.591 9.64383 11.2452 4.44979 12.0058 numMergedOcc 0
44 mol 98 unq 1 iso 0 dist 5.92242 9.42358 5.2571 9.74284 6.61111 10.0962 numMergedOcc 0
45 mol 98 unq 1 iso 1 dist 5.2571 9.42358 5.92242 10.0962 6.61111 9.74284 numMergedOcc 0
46 mol 98 unq 2 iso 0 dist 5.92242 13.9786 8.7497 9.74284 6.61111 11.2452 numMergedOcc 0
47 mol 98 unq 2 iso 1 dist 8.7497 13.9786 5.92242 11.2452 6.61111 9.74284 numMergedOcc 0
48 mol 98 unq 4 iso 0 dist 7.54889 5.02887 7.78931 10.0962 4.44979 11.2452 numMergedOcc 0
49 mol 98 unq 4 iso 1 dist 7.78931 5.02887 7.54889 11.2452 4.44979 10.0962 numMergedOcc 0
50 mol 98 unq 2 iso 0 dist 5.2571 5.02887 8.7497 10.0962 6.61111 11.2452 numMergedOcc 0
51 mol 98 unq 2 iso 1 dist 8.7497 5.02887 5.2571 11.2452 6.61111 10.0962 numMergedOcc 0
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53 mol 115 unq 0 iso 1 dist 9.42082 7.69052 6.39384 10.9739 8.0168 10.7942 numMergedOcc 0
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55 mol 119 unq 0 iso 1 dist 6.99446 10.9871 8.95212 6.35763 6.13374 10.3457 numMergedOcc 0
56 mol 119 unq 1 iso 0 dist 8.95212 10.9871 6.99446 16.7975 9.08536 7.36192 numMergedOcc 0
57 mol 119 unq 1 iso 1 dist 6.99446 10.9871 8.95212 7.36192 9.08536 16.7975 numMergedOcc 0
58 mol 119 unq 2 iso 0 dist 8.95212 9.93257 7.64052 10.3457 6.13374 10.0197 numMergedOcc 0
59 mol 119 unq 2 iso 1 dist 7.64052 9.93257 8.95212 10.0197 6.13374 10.3457 numMergedOcc 0
60 mol 119 unq 3 iso 0 dist 8.95212 9.93257 7.64052 16.7975 9.08536 10.6679 numMergedOcc 0
61 mol 119 unq 3 iso 1 dist 7.64052 9.93257 8.95212 10.6679 9.08536 16.7975 numMergedOcc 0
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63 mol 119 unq 2 iso 1 dist 7.64052 4.85907 6.99446 10.0197 6.13374 6.35763 numMergedOcc 0
64 mol 119 unq 3 iso 0 dist 6.99446 4.85907 7.64052 7.36192 9.08536 10.6679 numMergedOcc 0
65 mol 119 unq 3 iso 1 dist 7.64052 4.85907 6.99446 10.6679 9.08536 7.36192 numMergedOcc 0
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67 mol 134 unq 0 iso 1 dist 9.00918 14.069 9.10524 5.9915 5.73203 14.0644 numMergedOcc 0
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69 mol 134 unq 1 iso 1 dist 9.1998 11.6064 6.42772 6.74887 6.44575 5.31077 numMergedOcc 0
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71 mol 134 unq 2 iso 1 dist 8.70621 13.7309 6.42772 10.9715 6.44575 5.31077 numMergedOcc 0
72 mol 134 unq 3 iso 0 dist 9.33094 6.81259 8.69531 5.3585 7.43401 6.74887 numMergedOcc 0
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100 mol 234 unq 1 iso 0 dist 7.81215 10.2693 5.64285 15.015 9.49229 5.34613 numMergedOcc 0
101 mol 234 unq 1 iso 1 dist 5.64285 10.2693 7.81215 5.34613 9.49229 15.015 numMergedOcc 0
102 mol 234 unq 2 iso 0 dist 7.81215 10.2693 5.64285 12.1076 7.20293 6.29366 numMergedOcc 0
103 mol 234 unq 2 iso 1 dist 5.64285 10.2693 7.81215 6.29366 7.20293 12.1076 numMergedOcc 0
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107 mol 238 unq 1 iso 1 dist 9.08509 10.1813 6.99888 5.17471 5.43613 5.54325 numMergedOcc 0
108 mol 238 unq 2 iso 0 dist 6.99888 10.1813 9.08509 10.0613 7.06768 5.03393 numMergedOcc 0
109 mol 238 unq 2 iso 1 dist 9.08509 10.1813 6.99888 5.03393 7.06768 10.0613 numMergedOcc 0
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117 mol 292 unq 0 iso 1 dist 7.30758 10.3106 9.9182 5.07048 9.08193 9.98079 numMergedOcc 0
118 mol 292 unq 1 iso 0 dist 9.9182 10.3106 7.30758 18.0293 8.73515 12.1551 numMergedOcc 0
119 mol 292 unq 1 iso 1 dist 7.30758 10.3106 9.9182 12.1551 8.73515 18.0293 numMergedOcc 0
120 mol 292 unq 2 iso 0 dist 9.9182 12.1693 9.10788 9.98079 9.08193 10.0311 numMergedOcc 0
121 mol 292 unq 2 iso 1 dist 9.10788 12.1693 9.9182 10.0311 9.08193 9.98079 numMergedOcc 0
122 mol 292 unq 3 iso 0 dist 9.9182 12.1693 9.10788 18.0293 8.73515 10.8709 numMergedOcc 0
123 mol 292 unq 3 iso 1 dist 9.10788 12.1693 9.9182 10.8709 8.73515 18.0293 numMergedOcc 0
124 mol 292 unq 2 iso 0 dist 7.30758 12.6861 9.10788 5.07048 9.08193 10.0311 numMergedOcc 0
125 mol 292 unq 2 iso 1 dist 9.10788 12.6861 7.30758 10.0311 9.08193 5.07048 numMergedOcc 0
126 mol 292 unq 3 iso 0 dist 7.30758 12.6861 9.10788 12.1551 8.73515 10.8709 numMergedOcc 0
127 mol 292 unq 3 iso 1 dist 9.10788 12.6861 7.30758 10.8709 8.73515 12.1551 numMergedOcc 0
