0 mol 7 unq 0 iso 0 dist 8.77133 5.0893 6.36911 15.8567 9.36807 13.2247 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.77133 15.8567 9.36807 5.0893 6.36911 13.2247 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.9648 9.07666 8.63333 5.93193 8.89374 5.35073 numMergedOcc 0
3 mol 58 unq 0 iso 1 dist 9.9648 5.93193 8.89374 9.07666 8.63333 5.35073 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 9.9648 9.07666 8.63333 5.72191 6.46761 10.8153 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 9.9648 5.72191 6.46761 9.07666 8.63333 10.8153 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 9.9648 9.07666 8.63333 10.3384 9.73139 14.5953 numMergedOcc 0
7 mol 58 unq 2 iso 1 dist 9.9648 10.3384 9.73139 9.07666 8.63333 14.5953 numMergedOcc 0
8 mol 58 unq 1 iso 0 dist 9.9648 5.93193 8.89374 5.72191 6.46761 8.62958 numMergedOcc 0
9 mol 58 unq 1 iso 1 dist 9.9648 5.72191 6.46761 5.93193 8.89374 8.62958 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 9.9648 5.93193 8.89374 10.3384 9.73139 14.176 numMergedOcc 0
11 mol 58 unq 2 iso 1 dist 9.9648 10.3384 9.73139 5.93193 8.89374 14.176 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 9.9648 5.72191 6.46761 10.3384 9.73139 6.47414 numMergedOcc 0
13 mol 58 unq 2 iso 1 dist 9.9648 10.3384 9.73139 5.72191 6.46761 6.47414 numMergedOcc 0
14 mol 64 unq 0 iso 0 dist 5.1488 5.9853 8.68586 6.43864 9.54144 10.6748 numMergedOcc 0
15 mol 64 unq 0 iso 1 dist 5.1488 6.43864 9.54144 5.9853 8.68586 10.6748 numMergedOcc 0
16 mol 70 unq 0 iso 0 dist 6.22308 9.37982 8.33704 5.43139 7.92394 5.22626 numMergedOcc 0
17 mol 70 unq 0 iso 1 dist 6.22308 5.43139 7.92394 9.37982 8.33704 5.22626 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 6.96647 4.78435 8.70133 4.60412 5.64598 7.4697 numMergedOcc 0
19 mol 73 unq 0 iso 1 dist 6.96647 4.60412 5.64598 4.78435 8.70133 7.4697 numMergedOcc 0
20 mol 73 unq 1 iso 0 dist 6.96647 4.78435 8.70133 6.33833 4.65521 5.4148 numMergedOcc 0
21 mol 73 unq 1 iso 1 dist 6.96647 6.33833 4.65521 4.78435 8.70133 5.4148 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 6.96647 4.60412 5.64598 6.33833 4.65521 5.7113 numMergedOcc 0
23 mol 73 unq 1 iso 1 dist 6.96647 6.33833 4.65521 4.60412 5.64598 5.7113 numMergedOcc 0
24 mol 75 unq 0 iso 0 dist 9.24433 11.278 6.33365 4.95201 5.15851 9.02771 numMergedOcc 0
25 mol 75 unq 0 iso 1 dist 9.24433 4.95201 5.15851 11.278 6.33365 9.02771 numMergedOcc 0
26 mol 87 unq 0 iso 0 dist 9.53368 5.30415 7.51358 11.2095 8.32298 7.40574 numMergedOcc 0
27 mol 87 unq 0 iso 1 dist 9.53368 11.2095 8.32298 5.30415 7.51358 7.40574 numMergedOcc 0
28 mol 87 unq 1 iso 0 dist 9.64421 14.9517 7.51358 11.9144 8.32298 7.40574 numMergedOcc 0
29 mol 87 unq 1 iso 1 dist 9.64421 11.9144 8.32298 14.9517 7.51358 7.40574 numMergedOcc 0
30 mol 87 unq 2 iso 0 dist 6.72471 10.4977 7.51358 6.12372 8.32298 7.40574 numMergedOcc 0
31 mol 87 unq 2 iso 1 dist 6.72471 6.12372 8.32298 10.4977 7.51358 7.40574 numMergedOcc 0
32 mol 114 unq 0 iso 0 dist 9.33819 12.8158 8.68821 4.26125 7.12609 8.66412 numMergedOcc 0
33 mol 114 unq 0 iso 1 dist 9.33819 4.26125 7.12609 12.8158 8.68821 8.66412 numMergedOcc 0
34 mol 126 unq 0 iso 0 dist 8.62574 12.3787 7.75534 10.0564 9.06011 7.12167 numMergedOcc 0
35 mol 126 unq 0 iso 1 dist 8.62574 10.0564 9.06011 12.3787 7.75534 7.12167 numMergedOcc 0
36 mol 130 unq 0 iso 0 dist 8.28884 8.22558 9.12581 5.21262 8.74308 7.50049 numMergedOcc 0
37 mol 130 unq 0 iso 1 dist 8.28884 5.21262 8.74308 8.22558 9.12581 7.50049 numMergedOcc 0
38 mol 155 unq 0 iso 0 dist 9.18489 5.4783 8.65888 5.88096 7.70572 7.01918 numMergedOcc 0
39 mol 155 unq 0 iso 1 dist 9.18489 5.88096 7.70572 5.4783 8.65888 7.01918 numMergedOcc 0
40 mol 173 unq 0 iso 0 dist 9.71921 4.98931 7.93331 7.47584 6.98095 4.83994 numMergedOcc 0
41 mol 173 unq 0 iso 1 dist 9.71921 7.47584 6.98095 4.98931 7.93331 4.83994 numMergedOcc 0
42 mol 173 unq 1 iso 0 dist 9.71921 4.98931 7.93331 9.50929 8.31897 5.16343 numMergedOcc 0
43 mol 173 unq 1 iso 1 dist 9.71921 9.50929 8.31897 4.98931 7.93331 5.16343 numMergedOcc 0
44 mol 173 unq 1 iso 0 dist 9.71921 7.47584 6.98095 9.50929 8.31897 8.17887 numMergedOcc 0
45 mol 173 unq 1 iso 1 dist 9.71921 9.50929 8.31897 7.47584 6.98095 8.17887 numMergedOcc 0
46 mol 183 unq 0 iso 0 dist 8.55287 6.89601 9.93083 8.16006 7.01383 6.64382 numMergedOcc 0
47 mol 183 unq 0 iso 1 dist 8.55287 8.16006 7.01383 6.89601 9.93083 6.64382 numMergedOcc 0
48 mol 228 unq 0 iso 0 dist 8.2286 12.8654 8.06181 9.81 8.38048 5.43096 numMergedOcc 0
49 mol 228 unq 0 iso 1 dist 8.2286 9.81 8.38048 12.8654 8.06181 5.43096 numMergedOcc 0
50 mol 228 unq 1 iso 0 dist 8.2286 12.8654 8.06181 5.34643 7.65132 11.1899 numMergedOcc 0
51 mol 228 unq 1 iso 1 dist 8.2286 5.34643 7.65132 12.8654 8.06181 11.1899 numMergedOcc 0
52 mol 228 unq 2 iso 0 dist 8.2286 12.8654 8.06181 14.0156 8.53764 5.93014 numMergedOcc 0
53 mol 228 unq 2 iso 1 dist 8.2286 14.0156 8.53764 12.8654 8.06181 5.93014 numMergedOcc 0
54 mol 228 unq 1 iso 0 dist 8.2286 9.81 8.38048 5.34643 7.65132 7.09673 numMergedOcc 0
55 mol 228 unq 1 iso 1 dist 8.2286 5.34643 7.65132 9.81 8.38048 7.09673 numMergedOcc 0
56 mol 228 unq 2 iso 0 dist 8.2286 9.81 8.38048 14.0156 8.53764 6.61579 numMergedOcc 0
57 mol 228 unq 2 iso 1 dist 8.2286 14.0156 8.53764 9.81 8.38048 6.61579 numMergedOcc 0
58 mol 228 unq 2 iso 0 dist 8.2286 5.34643 7.65132 14.0156 8.53764 10.2985 numMergedOcc 0
59 mol 228 unq 2 iso 1 dist 8.2286 14.0156 8.53764 5.34643 7.65132 10.2985 numMergedOcc 0
60 mol 228 unq 3 iso 0 dist 8.5965 13.0265 7.77367 10.0235 8.20909 5.42695 numMergedOcc 0
61 mol 228 unq 3 iso 1 dist 8.5965 10.0235 8.20909 13.0265 7.77367 5.42695 numMergedOcc 0
62 mol 228 unq 4 iso 0 dist 8.5965 13.0265 7.77367 5.34702 7.94506 11.3702 numMergedOcc 0
63 mol 228 unq 4 iso 1 dist 8.5965 5.34702 7.94506 13.0265 7.77367 11.3702 numMergedOcc 0
64 mol 228 unq 5 iso 0 dist 8.5965 13.0265 7.77367 14.0419 8.15494 6.001 numMergedOcc 0
65 mol 228 unq 5 iso 1 dist 8.5965 14.0419 8.15494 13.0265 7.77367 6.001 numMergedOcc 0
66 mol 228 unq 4 iso 0 dist 8.5965 10.0235 8.20909 5.34702 7.94506 7.22215 numMergedOcc 0
67 mol 228 unq 4 iso 1 dist 8.5965 5.34702 7.94506 10.0235 8.20909 7.22215 numMergedOcc 0
68 mol 228 unq 5 iso 0 dist 8.5965 10.0235 8.20909 14.0419 8.15494 6.44695 numMergedOcc 0
69 mol 228 unq 5 iso 1 dist 8.5965 14.0419 8.15494 10.0235 8.20909 6.44695 numMergedOcc 0
70 mol 228 unq 5 iso 0 dist 8.5965 5.34702 7.94506 14.0419 8.15494 10.3635 numMergedOcc 0
71 mol 228 unq 5 iso 1 dist 8.5965 14.0419 8.15494 5.34702 7.94506 10.3635 numMergedOcc 0
72 mol 232 unq 0 iso 0 dist 9.94653 10.8978 7.07392 10.9318 9.62952 4.96364 numMergedOcc 0
73 mol 232 unq 0 iso 1 dist 9.94653 10.9318 9.62952 10.8978 7.07392 4.96364 numMergedOcc 0
74 mol 232 unq 1 iso 0 dist 7.97572 10.4487 7.07392 9.66136 9.62952 4.96364 numMergedOcc 0
75 mol 232 unq 1 iso 1 dist 7.97572 9.66136 9.62952 10.4487 7.07392 4.96364 numMergedOcc 0
