0 mol 0 unq 0 iso 0 dist 9.23213 5.24778 8.34244 12.9149 8.66548 8.73015 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 6.36911 5.03847 9.97624 6.88805 8.81608 5.5683 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.36807 13.8829 9.97624 13.156 8.81608 5.5683 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 9.29358 9.75966 6.50647 6.91314 9.51568 5.20798 numMergedOcc 0
4 mol 18 unq 0 iso 0 dist 8.52106 10.6757 8.80193 11.5747 9.35863 3.84273 numMergedOcc 0
5 mol 18 unq 1 iso 0 dist 8.52106 10.6757 8.80193 6.11048 5.04478 11.0746 numMergedOcc 0
6 mol 18 unq 2 iso 0 dist 6.32451 7.62011 8.80193 6.96996 9.35863 3.84273 numMergedOcc 0
7 mol 18 unq 3 iso 0 dist 6.32451 7.62011 8.80193 4.52259 5.04478 11.0746 numMergedOcc 0
8 mol 21 unq 0 iso 0 dist 6.08338 10.6971 6.93185 14.0241 9.35562 3.76294 numMergedOcc 0
9 mol 21 unq 1 iso 0 dist 6.08338 10.6971 6.93185 4.20001 8.63857 12.9404 numMergedOcc 0
10 mol 27 unq 0 iso 0 dist 9.77484 6.65855 8.71752 9.11842 6.78936 10.8132 numMergedOcc 0
11 mol 27 unq 1 iso 0 dist 9.77484 14.3929 7.60283 9.11842 6.78936 13.4461 numMergedOcc 0
12 mol 39 unq 0 iso 0 dist 7.45237 7.401 6.47855 9.26784 8.94353 10.5824 numMergedOcc 0
13 mol 39 unq 1 iso 0 dist 7.45237 7.401 6.47855 10.2083 7.30265 3.91611 numMergedOcc 0
14 mol 45 unq 0 iso 0 dist 9.20119 10.7082 5.55096 12.466 5.81001 4.06745 numMergedOcc 0
15 mol 58 unq 0 iso 0 dist 8.81638 9.62267 7.6481 6.07871 8.13051 5.45005 numMergedOcc 0
16 mol 59 unq 0 iso 0 dist 6.23899 11.1914 9.43355 4.53828 8.67634 13.144 numMergedOcc 0
17 mol 59 unq 1 iso 0 dist 6.23899 6.435 7.9327 4.53828 8.67634 9.37875 numMergedOcc 0
18 mol 76 unq 0 iso 0 dist 6.21982 4.85247 7.03226 5.31985 9.4866 10.1364 numMergedOcc 0
19 mol 76 unq 1 iso 0 dist 8.19682 6.45686 7.03226 15.4159 9.4866 10.1364 numMergedOcc 0
20 mol 113 unq 0 iso 0 dist 6.81812 9.76608 7.33541 8.50705 5.29949 11.0969 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 7.76729 14.0688 7.70313 6.63111 8.0168 10.3264 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 7.64585 6.40494 7.52142 6.95773 7.65255 6.44969 numMergedOcc 0
23 mol 119 unq 0 iso 0 dist 7.39889 5.92984 7.26955 6.30721 6.55202 10.3622 numMergedOcc 0
24 mol 119 unq 1 iso 0 dist 7.39889 5.92984 7.26955 14.443 9.08536 14.9264 numMergedOcc 0
25 mol 119 unq 2 iso 0 dist 9.63176 15.5019 7.26955 6.9194 6.55202 10.3622 numMergedOcc 0
26 mol 119 unq 3 iso 0 dist 9.63176 15.5019 7.26955 9.68677 9.08536 14.9264 numMergedOcc 0
27 mol 119 unq 4 iso 0 dist 7.44174 10.314 7.26955 12.4621 6.55202 10.3622 numMergedOcc 0
28 mol 119 unq 5 iso 0 dist 7.44174 10.314 7.26955 6.20019 9.08536 14.9264 numMergedOcc 0
29 mol 126 unq 0 iso 0 dist 7.75534 6.0268 7.36017 5.42561 8.7789 3.9234 numMergedOcc 0
30 mol 126 unq 1 iso 0 dist 7.75534 6.0268 7.36017 10.7549 9.93613 5.50104 numMergedOcc 0
31 mol 126 unq 2 iso 0 dist 7.75534 8.01268 5.14819 5.42561 8.7789 6.1079 numMergedOcc 0
32 mol 126 unq 3 iso 0 dist 7.75534 8.01268 5.14819 10.7549 9.93613 7.02562 numMergedOcc 0
33 mol 126 unq 4 iso 0 dist 7.75534 10.2072 6.84245 5.42561 8.7789 9.58426 numMergedOcc 0
34 mol 126 unq 5 iso 0 dist 7.75534 10.2072 6.84245 10.7549 9.93613 11.1195 numMergedOcc 0
35 mol 126 unq 6 iso 0 dist 9.06011 10.1326 7.36017 7.47528 8.7789 3.9234 numMergedOcc 0
36 mol 126 unq 7 iso 0 dist 9.06011 10.1326 7.36017 11.9496 9.93613 5.50104 numMergedOcc 0
37 mol 126 unq 8 iso 0 dist 9.06011 6.51507 5.14819 7.47528 8.7789 6.1079 numMergedOcc 0
38 mol 126 unq 9 iso 0 dist 9.06011 6.51507 5.14819 11.9496 9.93613 7.02562 numMergedOcc 0
39 mol 126 unq 10 iso 0 dist 9.06011 5.78149 6.84245 7.47528 8.7789 9.58426 numMergedOcc 0
40 mol 126 unq 11 iso 0 dist 9.06011 5.78149 6.84245 11.9496 9.93613 11.1195 numMergedOcc 0
41 mol 133 unq 0 iso 0 dist 7.92688 5.92062 6.51868 14.8533 9.10003 10.0161 numMergedOcc 0
42 mol 133 unq 1 iso 0 dist 7.92688 6.61891 7.34698 14.8533 9.10003 11.7838 numMergedOcc 0
43 mol 134 unq 0 iso 0 dist 8.94837 14.2198 6.93279 11.5407 5.52149 6.06606 numMergedOcc 0
44 mol 134 unq 1 iso 0 dist 7.77454 11.147 6.93279 5.91192 5.52149 6.06606 numMergedOcc 0
45 mol 143 unq 0 iso 0 dist 7.31468 10.0059 6.46089 7.63293 7.05845 12.207 numMergedOcc 0
46 mol 143 unq 1 iso 0 dist 7.7056 8.57817 6.46089 11.903 7.05845 12.207 numMergedOcc 0
47 mol 173 unq 0 iso 0 dist 7.93331 6.14414 8.41245 12.4131 8.62366 16.0084 numMergedOcc 0
48 mol 173 unq 1 iso 0 dist 7.93331 6.14414 8.41245 8.85462 9.44973 13.8465 numMergedOcc 0
49 mol 173 unq 2 iso 0 dist 7.93331 6.14414 8.41245 6.91529 6.52508 11.2063 numMergedOcc 0
50 mol 173 unq 3 iso 0 dist 7.93331 4.72839 6.64779 12.4131 8.62366 11.3761 numMergedOcc 0
51 mol 173 unq 4 iso 0 dist 7.93331 4.72839 6.64779 8.85462 9.44973 9.90783 numMergedOcc 0
52 mol 173 unq 5 iso 0 dist 7.93331 4.72839 6.64779 6.91529 6.52508 4.60149 numMergedOcc 0
53 mol 173 unq 6 iso 0 dist 6.98095 5.27321 8.41245 12.5815 8.62366 16.0084 numMergedOcc 0
54 mol 173 unq 7 iso 0 dist 6.98095 5.27321 8.41245 9.65654 9.44973 13.8465 numMergedOcc 0
55 mol 173 unq 8 iso 0 dist 6.98095 5.27321 8.41245 9.44845 6.52508 11.2063 numMergedOcc 0
56 mol 173 unq 9 iso 0 dist 6.98095 8.07089 6.64779 12.5815 8.62366 11.3761 numMergedOcc 0
57 mol 173 unq 10 iso 0 dist 6.98095 8.07089 6.64779 9.65654 9.44973 9.90783 numMergedOcc 0
58 mol 173 unq 11 iso 0 dist 6.98095 8.07089 6.64779 9.44845 6.52508 4.60149 numMergedOcc 0
59 mol 173 unq 12 iso 0 dist 8.31897 10.8609 8.41245 8.63452 8.62366 16.0084 numMergedOcc 0
60 mol 173 unq 13 iso 0 dist 8.31897 10.8609 8.41245 4.83786 9.44973 13.8465 numMergedOcc 0
61 mol 173 unq 14 iso 0 dist 8.31897 10.8609 8.41245 3.74688 6.52508 11.2063 numMergedOcc 0
62 mol 173 unq 15 iso 0 dist 8.31897 5.70743 6.64779 8.63452 8.62366 11.3761 numMergedOcc 0
63 mol 173 unq 16 iso 0 dist 8.31897 5.70743 6.64779 4.83786 9.44973 9.90783 numMergedOcc 0
64 mol 173 unq 17 iso 0 dist 8.31897 5.70743 6.64779 3.74688 6.52508 4.60149 numMergedOcc 0
65 mol 181 unq 0 iso 0 dist 4.93785 7.77758 7.05653 6.8757 9.09234 4.98436 numMergedOcc 0
66 mol 181 unq 1 iso 0 dist 4.93785 7.77758 7.05653 5.71898 6.76746 11.9796 numMergedOcc 0
67 mol 181 unq 2 iso 0 dist 4.93785 7.77758 7.05653 5.83796 8.92098 12.3589 numMergedOcc 0
68 mol 194 unq 0 iso 0 dist 5.48258 7.11753 8.52969 4.66791 7.10155 7.41775 numMergedOcc 0
69 mol 194 unq 1 iso 0 dist 5.48258 7.11753 8.52969 5.97754 6.11135 11.4789 numMergedOcc 0
70 mol 225 unq 0 iso 0 dist 5.50387 8.32583 9.47117 4.7456 5.93063 10.1358 numMergedOcc 0
71 mol 227 unq 0 iso 0 dist 8.17891 10.9607 7.57454 4.1511 7.79951 12.8337 numMergedOcc 0
72 mol 227 unq 1 iso 0 dist 6.95902 9.72615 7.57454 4.69247 7.79951 12.8337 numMergedOcc 0
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74 mol 234 unq 1 iso 0 dist 9.5707 10.0059 7.43663 15.9732 6.96257 10.7351 numMergedOcc 0
75 mol 235 unq 0 iso 0 dist 9.58736 15.6327 7.31773 13.7306 7.02029 5.4263 numMergedOcc 0
76 mol 235 unq 1 iso 0 dist 9.43058 10.632 7.31773 7.31605 7.02029 5.4263 numMergedOcc 0
77 mol 235 unq 2 iso 0 dist 8.75735 6.01041 7.31773 4.12497 7.02029 5.4263 numMergedOcc 0
78 mol 235 unq 3 iso 0 dist 6.98084 6.82855 7.31773 8.26028 7.02029 5.4263 numMergedOcc 0
79 mol 235 unq 4 iso 0 dist 7.32211 6.46722 7.31773 10.7187 7.02029 5.4263 numMergedOcc 0
80 mol 238 unq 0 iso 0 dist 6.05141 10.7081 8.09718 5.27215 8.69525 15.3328 numMergedOcc 0
81 mol 238 unq 1 iso 0 dist 6.05141 5.50308 6.73446 5.27215 8.69525 10.3346 numMergedOcc 0
82 mol 238 unq 2 iso 0 dist 8.09066 12.2874 8.09718 6.13368 8.69525 15.3328 numMergedOcc 0
83 mol 238 unq 3 iso 0 dist 8.09066 7.11984 6.73446 6.13368 8.69525 10.3346 numMergedOcc 0
84 mol 238 unq 4 iso 0 dist 7.2766 10.4017 8.09718 10.0605 8.69525 15.3328 numMergedOcc 0
85 mol 238 unq 5 iso 0 dist 7.2766 7.95232 6.73446 10.0605 8.69525 10.3346 numMergedOcc 0
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87 mol 259 unq 1 iso 0 dist 7.48005 8.81835 8.71497 10.067 6.23661 4.47425 numMergedOcc 0
88 mol 259 unq 2 iso 0 dist 8.37865 8.75685 8.71497 4.04513 8.84648 7.57379 numMergedOcc 0
89 mol 259 unq 3 iso 0 dist 8.37865 8.75685 8.71497 7.09907 6.23661 4.47425 numMergedOcc 0
90 mol 267 unq 0 iso 0 dist 8.76007 9.33806 9.01354 11.5903 6.32877 14.8427 numMergedOcc 0
91 mol 267 unq 1 iso 0 dist 8.76007 9.33806 9.01354 9.15724 9.48115 16.1143 numMergedOcc 0
92 mol 267 unq 2 iso 0 dist 8.76007 9.33806 9.01354 5.65969 8.38545 5.32312 numMergedOcc 0
93 mol 267 unq 3 iso 0 dist 8.76007 9.33806 9.01354 9.22276 5.08174 5.68457 numMergedOcc 0
94 mol 267 unq 4 iso 0 dist 8.76007 9.33806 9.01354 6.06209 6.10838 5.41564 numMergedOcc 0
95 mol 270 unq 0 iso 0 dist 8.25349 5.43023 7.89388 6.81241 9.85255 4.11153 numMergedOcc 0
96 mol 274 unq 0 iso 0 dist 9.19234 5.64601 9.20749 8.87855 6.66172 5.39432 numMergedOcc 0
97 mol 282 unq 0 iso 0 dist 6.85028 7.80785 6.8972 4.57104 7.52924 4.10152 numMergedOcc 0
98 mol 282 unq 1 iso 0 dist 7.32347 6.6348 6.8972 5.29852 7.52924 4.10152 numMergedOcc 0
99 mol 282 unq 2 iso 0 dist 8.3411 6.3458 6.8972 5.80572 7.52924 4.10152 numMergedOcc 0
