0 mol 18 unq 0 iso 0 dist 5.65084 7.04695 5.04478 14.8965 10.6819 9.35863 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.12845 14.1424 9.06516 14.8894 9.56136 6.79475 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.18022 5.32981 7.79336 13.6509 13.1232 8.38156 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 7.18022 5.32981 7.79336 6.24711 3.39994 7.08559 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 6.24711 5.32981 7.08559 13.6509 12.7516 8.38156 numMergedOcc 0
5 mol 34 unq 3 iso 0 dist 6.24711 5.32981 7.08559 7.18022 3.39994 7.79336 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 8.66539 10.8078 7.03126 12.2304 3.6461 7.60018 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 5.38524 5.98837 7.03126 8.41778 3.6461 7.60018 numMergedOcc 0
8 mol 58 unq 2 iso 0 dist 8.69057 4.55117 7.03126 9.97819 3.6461 7.60018 numMergedOcc 0
9 mol 67 unq 0 iso 0 dist 8.3733 10.331 8.96498 17.7629 15.3956 7.5228 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 9.74228 6.00418 9.14817 10.7906 3.43675 9.76686 numMergedOcc 0
11 mol 72 unq 1 iso 0 dist 9.74228 6.00418 9.14817 12.952 5.75711 9.437 numMergedOcc 0
12 mol 72 unq 2 iso 0 dist 7.12321 9.0131 9.14817 9.35457 3.43675 9.76686 numMergedOcc 0
13 mol 72 unq 3 iso 0 dist 7.12321 9.0131 9.14817 12.1131 5.75711 9.437 numMergedOcc 0
14 mol 72 unq 4 iso 0 dist 6.21799 6.11922 9.14817 5.03251 3.43675 9.76686 numMergedOcc 0
15 mol 72 unq 5 iso 0 dist 6.21799 6.11922 9.14817 7.66093 5.75711 9.437 numMergedOcc 0
16 mol 72 unq 6 iso 0 dist 5.03251 6.11922 9.76686 6.21799 3.43675 9.14817 numMergedOcc 0
17 mol 72 unq 7 iso 0 dist 5.03251 6.11922 9.76686 7.66093 5.26077 9.437 numMergedOcc 0
18 mol 72 unq 8 iso 0 dist 9.56773 9.93049 9.76686 10.9808 3.43675 9.14817 numMergedOcc 0
19 mol 72 unq 9 iso 0 dist 9.56773 9.93049 9.76686 13.336 5.26077 9.437 numMergedOcc 0
20 mol 72 unq 10 iso 0 dist 7.66093 6.11922 9.437 6.21799 5.75711 9.14817 numMergedOcc 0
21 mol 72 unq 11 iso 0 dist 7.66093 6.11922 9.437 5.03251 5.26077 9.76686 numMergedOcc 0
22 mol 72 unq 12 iso 0 dist 9.55118 7.11552 5.4605 10.7102 5.17981 9.37102 numMergedOcc 0
23 mol 72 unq 13 iso 0 dist 9.55118 7.11552 5.4605 12.111 4.85556 6.53824 numMergedOcc 0
24 mol 72 unq 14 iso 0 dist 9.55118 12.3903 6.1906 10.7102 5.17981 8.8184 numMergedOcc 0
25 mol 72 unq 15 iso 0 dist 9.55118 12.3903 6.1906 13.641 4.86472 8.70809 numMergedOcc 0
26 mol 72 unq 16 iso 0 dist 9.55118 12.3903 6.1906 12.111 4.85556 7.67686 numMergedOcc 0
27 mol 72 unq 17 iso 0 dist 9.55118 7.17489 6.7272 10.7102 5.17981 7.93683 numMergedOcc 0
28 mol 72 unq 18 iso 0 dist 9.55118 7.17489 6.7272 9.10345 9.20237 7.64009 numMergedOcc 0
29 mol 72 unq 19 iso 0 dist 9.10345 7.17489 7.64009 10.7102 5.56281 7.93683 numMergedOcc 0
30 mol 72 unq 20 iso 0 dist 9.10345 7.17489 7.64009 9.55118 9.20237 6.7272 numMergedOcc 0
31 mol 78 unq 0 iso 0 dist 6.85523 4.92509 5.47706 11.5776 7.95975 8.89842 numMergedOcc 0
32 mol 78 unq 1 iso 0 dist 6.85523 4.92509 5.47706 5.77326 8.2592 8.07568 numMergedOcc 0
33 mol 78 unq 2 iso 0 dist 8.65848 5.22036 5.47706 7.25801 7.95975 8.89842 numMergedOcc 0
34 mol 78 unq 3 iso 0 dist 8.65848 5.22036 5.47706 12.35 8.2592 8.07568 numMergedOcc 0
35 mol 78 unq 4 iso 0 dist 7.25801 5.22036 8.89842 8.65848 7.95975 5.47706 numMergedOcc 0
36 mol 78 unq 5 iso 0 dist 7.25801 5.22036 8.89842 12.35 15.4762 8.07568 numMergedOcc 0
37 mol 78 unq 6 iso 0 dist 5.77326 4.92509 8.07568 6.85523 8.2592 5.47706 numMergedOcc 0
38 mol 78 unq 7 iso 0 dist 5.77326 4.92509 8.07568 11.5776 15.4762 8.89842 numMergedOcc 0
39 mol 98 unq 0 iso 0 dist 5.10496 8.70415 6.61111 9.81956 6.70343 4.44979 numMergedOcc 0
40 mol 98 unq 1 iso 0 dist 9.64383 12.0058 4.44979 14.0897 6.70343 6.61111 numMergedOcc 0
41 mol 98 unq 2 iso 0 dist 5.92242 9.74284 6.61111 10.8223 6.70343 4.44979 numMergedOcc 0
42 mol 98 unq 3 iso 0 dist 7.54889 10.0962 4.44979 5.2571 6.70343 6.61111 numMergedOcc 0
43 mol 98 unq 4 iso 0 dist 5.2571 10.0962 6.61111 7.54889 6.70343 4.44979 numMergedOcc 0
44 mol 98 unq 5 iso 0 dist 7.78931 11.2452 4.44979 8.7497 6.70343 6.61111 numMergedOcc 0
45 mol 98 unq 6 iso 0 dist 8.7497 11.2452 6.61111 7.78931 6.70343 4.44979 numMergedOcc 0
46 mol 112 unq 0 iso 0 dist 9.05166 6.35364 8.91262 5.56994 5.11 6.12922 numMergedOcc 0
47 mol 112 unq 1 iso 0 dist 5.56994 6.35364 6.12922 9.05166 5.11 8.91262 numMergedOcc 0
48 mol 119 unq 0 iso 0 dist 8.95212 16.7975 9.08536 20.5378 12.7135 6.55202 numMergedOcc 0
49 mol 119 unq 1 iso 0 dist 6.99446 7.36192 9.08536 11.2897 12.7135 6.55202 numMergedOcc 0
50 mol 119 unq 2 iso 0 dist 7.64052 10.6679 9.08536 12.31 12.7135 6.55202 numMergedOcc 0
51 mol 134 unq 0 iso 0 dist 9.10524 14.0644 5.73203 10.6728 4.87973 6.57379 numMergedOcc 0
52 mol 134 unq 1 iso 0 dist 6.42772 5.31077 6.44575 9.70973 5.83782 7.43401 numMergedOcc 0
53 mol 134 unq 2 iso 0 dist 9.33094 5.3585 7.43401 11.0808 5.83782 6.44575 numMergedOcc 0
54 mol 134 unq 3 iso 0 dist 9.1998 6.74887 6.44575 8.69531 5.83782 7.43401 numMergedOcc 0
55 mol 134 unq 4 iso 0 dist 8.69531 6.74887 7.43401 9.1998 5.83782 6.44575 numMergedOcc 0
56 mol 134 unq 5 iso 0 dist 5.35237 8.96357 6.57379 9.69086 4.87973 5.73203 numMergedOcc 0
57 mol 134 unq 6 iso 0 dist 8.70621 10.9715 6.44575 10.3432 5.83782 7.43401 numMergedOcc 0
58 mol 134 unq 7 iso 0 dist 9.00918 5.9915 5.73203 7.99477 4.87973 6.57379 numMergedOcc 0
59 mol 134 unq 8 iso 0 dist 7.99477 5.9915 6.57379 9.00918 4.87973 5.73203 numMergedOcc 0
60 mol 143 unq 0 iso 0 dist 7.36975 5.44503 8.18023 5.40637 10.1474 7.46803 numMergedOcc 0
61 mol 143 unq 1 iso 0 dist 5.40637 5.44503 7.46803 7.36975 10.1474 8.18023 numMergedOcc 0
62 mol 167 unq 0 iso 0 dist 6.84752 7.69326 7.30954 10.5499 6.81449 9.1326 numMergedOcc 0
63 mol 167 unq 1 iso 0 dist 7.86563 9.46955 7.30954 14.1851 6.81449 9.1326 numMergedOcc 0
64 mol 167 unq 2 iso 0 dist 7.20495 6.36909 9.1326 7.02548 6.81449 7.30954 numMergedOcc 0
65 mol 167 unq 3 iso 0 dist 7.02548 6.36909 7.30954 7.20495 6.81449 9.1326 numMergedOcc 0
66 mol 181 unq 0 iso 0 dist 6.64173 6.7991 9.09234 9.01624 11.196 6.76746 numMergedOcc 0
67 mol 181 unq 1 iso 0 dist 6.64173 6.7991 9.09234 9.55105 10.1041 8.92098 numMergedOcc 0
68 mol 181 unq 2 iso 0 dist 9.01624 6.7991 6.76746 6.64173 11.196 9.09234 numMergedOcc 0
69 mol 181 unq 3 iso 0 dist 9.01624 6.7991 6.76746 9.55105 3.55187 8.92098 numMergedOcc 0
70 mol 181 unq 4 iso 0 dist 9.55105 6.7991 8.92098 6.64173 10.1041 9.09234 numMergedOcc 0
71 mol 181 unq 5 iso 0 dist 9.55105 6.7991 8.92098 9.01624 3.55187 6.76746 numMergedOcc 0
72 mol 181 unq 6 iso 0 dist 5.05973 8.35755 6.76746 15.3823 11.196 9.09234 numMergedOcc 0
73 mol 181 unq 7 iso 0 dist 5.05973 8.35755 6.76746 8.40951 3.55187 8.92098 numMergedOcc 0
74 mol 225 unq 0 iso 0 dist 8.1945 10.7506 8.91356 14.181 9.9109 9.57455 numMergedOcc 0
75 mol 225 unq 1 iso 0 dist 6.50998 8.69249 8.91356 11.7112 9.9109 9.57455 numMergedOcc 0
76 mol 233 unq 0 iso 0 dist 8.51625 8.96098 6.01775 14.3009 8.23358 8.24424 numMergedOcc 0
77 mol 233 unq 1 iso 0 dist 8.51625 8.96098 6.01775 14.2 6.91967 7.0942 numMergedOcc 0
78 mol 238 unq 0 iso 0 dist 9.07475 10.0613 9.82327 6.99888 3.46869 7.06768 numMergedOcc 0
79 mol 238 unq 1 iso 0 dist 9.07475 10.0613 9.82327 14.3724 9.64248 9.08687 numMergedOcc 0
80 mol 238 unq 2 iso 0 dist 6.99888 5.54325 5.43613 8.63015 11.1752 7.24334 numMergedOcc 0
81 mol 238 unq 3 iso 0 dist 6.99888 10.0613 7.06768 9.07475 3.46869 9.82327 numMergedOcc 0
82 mol 238 unq 4 iso 0 dist 6.99888 10.0613 7.06768 14.3724 8.33582 9.08687 numMergedOcc 0
83 mol 238 unq 5 iso 0 dist 9.08509 5.17471 5.43613 10.1172 11.1752 7.24334 numMergedOcc 0
84 mol 238 unq 6 iso 0 dist 9.08509 5.03393 7.06768 12.47 3.46869 9.82327 numMergedOcc 0
85 mol 238 unq 7 iso 0 dist 9.08509 5.03393 7.06768 9.7696 8.33582 9.08687 numMergedOcc 0
86 mol 259 unq 0 iso 0 dist 5.85442 5.79468 6.23661 11.7465 8.0048 8.84648 numMergedOcc 0
87 mol 259 unq 1 iso 0 dist 8.03219 5.31048 8.84648 6.9899 8.0048 6.23661 numMergedOcc 0
88 mol 259 unq 2 iso 0 dist 6.9899 5.31048 6.23661 8.03219 8.0048 8.84648 numMergedOcc 0
89 mol 267 unq 0 iso 0 dist 8.8293 7.11419 5.08174 9.33497 11.3792 6.32877 numMergedOcc 0
90 mol 267 unq 1 iso 0 dist 8.8293 7.11419 5.08174 14.4164 13.5886 9.48115 numMergedOcc 0
91 mol 267 unq 2 iso 0 dist 8.8293 7.11419 5.08174 15.0638 7.9327 8.38545 numMergedOcc 0
92 mol 267 unq 3 iso 0 dist 8.8293 7.11419 5.08174 11.5802 3.51278 6.10838 numMergedOcc 0
93 mol 267 unq 4 iso 0 dist 7.34981 6.45566 5.08174 10.3168 11.3792 6.32877 numMergedOcc 0
94 mol 267 unq 5 iso 0 dist 7.34981 6.45566 5.08174 15.2499 13.5886 9.48115 numMergedOcc 0
95 mol 267 unq 6 iso 0 dist 7.34981 6.45566 5.08174 11.8835 7.9327 8.38545 numMergedOcc 0
96 mol 267 unq 7 iso 0 dist 7.34981 6.45566 5.08174 10.316 3.51278 6.10838 numMergedOcc 0
97 mol 272 unq 0 iso 0 dist 6.44147 6.64985 8.84523 11.4951 9.5745 6.95241 numMergedOcc 0
98 mol 292 unq 0 iso 0 dist 9.74118 5.98906 6.1905 11.3379 4.99426 5.84792 numMergedOcc 0
99 mol 292 unq 1 iso 0 dist 9.74118 5.98906 6.1905 14.1177 8.21724 8.73515 numMergedOcc 0
100 mol 292 unq 2 iso 0 dist 9.46442 12.1551 5.84792 14.4052 4.99426 6.1905 numMergedOcc 0
101 mol 292 unq 3 iso 0 dist 9.46442 12.1551 5.84792 7.30758 3.57128 8.73515 numMergedOcc 0
102 mol 292 unq 4 iso 0 dist 9.9182 18.0293 8.73515 17.5894 8.21724 6.1905 numMergedOcc 0
103 mol 292 unq 5 iso 0 dist 9.9182 18.0293 8.73515 13.4489 3.57128 5.84792 numMergedOcc 0
104 mol 292 unq 6 iso 0 dist 7.30758 12.1551 8.73515 14.4052 8.21724 6.1905 numMergedOcc 0
105 mol 292 unq 7 iso 0 dist 7.30758 12.1551 8.73515 9.46442 3.57128 5.84792 numMergedOcc 0
106 mol 292 unq 8 iso 0 dist 9.10788 10.8709 8.73515 12.0935 8.21724 6.1905 numMergedOcc 0
107 mol 292 unq 9 iso 0 dist 9.10788 10.8709 8.73515 9.96037 3.57128 5.84792 numMergedOcc 0
