0 mol 9 unq 0 iso 0 dist 8.47421 5.8245 3.91075 8.27962 9.29529 9.71516 8.57077 5.60154 5.84314 6.85412 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.47421 5.8245 3.91075 11.4878 7.2199 9.81658 8.57077 5.60154 5.84314 6.33889 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 6.99408 5.94756 4.51883 7.39653 8.13782 5.81001 15.0348 16.2375 12.466 9.20119 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 6.40841 8.69057 11.0945 4.55117 8.80108 7.03126 10.1508 6.78077 9.53718 9.33535 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 6.40841 8.69057 11.0945 4.55117 8.80108 7.03126 7.32874 6.75888 5.61579 8.26899 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 9.02278 6.21799 5.5067 6.11922 13.4823 9.14817 9.78528 11.6894 7.47371 7.321 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 9.02278 5.03251 4.01021 6.11922 13.4823 9.76686 9.78528 11.6894 9.67587 7.321 numMergedOcc 0
7 mol 72 unq 2 iso 0 dist 9.02278 7.66093 6.40102 6.11922 13.4823 9.437 9.78528 11.6894 7.07356 7.321 numMergedOcc 0
8 mol 72 unq 3 iso 0 dist 8.624 9.74228 9.88768 6.00418 9.19459 9.14817 10.8086 7.11552 7.47371 7.321 numMergedOcc 0
9 mol 72 unq 4 iso 0 dist 6.77912 7.12321 9.88768 9.0131 9.19459 9.14817 9.96708 7.11552 7.47371 7.321 numMergedOcc 0
10 mol 72 unq 5 iso 0 dist 7.321 9.55118 6.74416 7.11552 9.19459 5.4605 10.8086 6.00418 3.94376 8.624 numMergedOcc 0
11 mol 72 unq 6 iso 0 dist 7.321 9.55118 6.74416 7.11552 9.19459 5.4605 9.96708 9.0131 5.69391 6.77912 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 7.76729 6.24825 5.78043 10.2377 6.40036 7.65255 9.33865 10.7942 6.95773 7.64585 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 9.66954 6.39384 6.49835 10.7942 12.4065 8.0168 9.33865 6.09023 6.63111 7.76729 numMergedOcc 0
14 mol 115 unq 2 iso 0 dist 8.66155 9.42082 6.49835 10.9739 12.4065 8.0168 5.83991 6.09023 6.63111 7.76729 numMergedOcc 0
15 mol 115 unq 3 iso 0 dist 7.64585 6.39384 5.65471 10.7942 6.40036 8.0168 9.33865 10.2377 6.63111 7.76729 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 9.14392 8.97626 12.0485 12.8482 18.2998 7.29911 6.43582 12.1814 4.91785 9.38946 numMergedOcc 0
17 mol 155 unq 1 iso 0 dist 9.14392 8.97626 12.0485 8.27726 13.2154 5.36254 10.7829 9.36596 7.10286 7.39644 numMergedOcc 0
18 mol 155 unq 2 iso 0 dist 9.14392 8.97626 12.0485 8.27726 13.2154 5.36254 6.43582 12.1814 4.91785 7.36102 numMergedOcc 0
19 mol 155 unq 3 iso 0 dist 7.51198 8.97626 4.48516 12.8482 11.3251 7.29911 6.43582 6.34186 4.91785 9.38946 numMergedOcc 0
20 mol 155 unq 4 iso 0 dist 7.51198 8.97626 4.48516 8.27726 7.37901 5.36254 10.7829 5.40375 7.10286 7.39644 numMergedOcc 0
21 mol 155 unq 5 iso 0 dist 7.51198 8.97626 4.48516 8.27726 7.37901 5.36254 6.43582 6.34186 4.91785 7.36102 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 7.98142 6.64173 4.48306 6.7991 12.2455 9.09234 7.81386 9.53462 6.8757 4.93785 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 7.98142 9.01624 12.2513 6.7991 12.2455 6.76746 7.81386 9.53462 5.71898 4.93785 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 7.98142 9.55105 10.2172 6.7991 12.2455 8.92098 7.81386 9.53462 5.83796 4.93785 numMergedOcc 0
25 mol 181 unq 3 iso 0 dist 7.37327 6.64173 4.88823 6.7991 11.691 9.09234 7.81386 11.1462 6.8757 4.93785 numMergedOcc 0
26 mol 181 unq 4 iso 0 dist 7.37327 9.01624 14.8923 6.7991 11.691 6.76746 7.81386 11.1462 5.71898 4.93785 numMergedOcc 0
27 mol 181 unq 5 iso 0 dist 7.37327 9.55105 14.2334 6.7991 11.691 8.92098 7.81386 11.1462 5.83796 4.93785 numMergedOcc 0
28 mol 214 unq 0 iso 0 dist 6.97182 7.46481 11.357 6.67959 11.7443 8.70987 8.85478 8.47007 11.1534 7.46831 numMergedOcc 0
29 mol 214 unq 1 iso 0 dist 6.97182 7.46481 11.357 6.67959 11.7443 8.70987 11.9355 15.1286 7.19184 8.60247 numMergedOcc 0
30 mol 214 unq 2 iso 0 dist 6.1175 7.46481 10.9581 6.67959 12.7646 8.70987 8.85478 12.8334 11.1534 7.46831 numMergedOcc 0
31 mol 214 unq 3 iso 0 dist 6.1175 7.46481 10.9581 6.67959 12.7646 8.70987 11.9355 16.8311 7.19184 8.60247 numMergedOcc 0
32 mol 234 unq 0 iso 0 dist 9.5707 7.81215 11.8229 5.56749 8.49841 9.11572 10.3625 5.9221 13.1872 6.16063 numMergedOcc 0
33 mol 234 unq 1 iso 0 dist 7.85175 7.81215 10.5304 5.56749 10.0446 9.11572 10.3625 10.381 13.1872 6.16063 numMergedOcc 0
34 mol 234 unq 2 iso 0 dist 9.39181 5.64285 6.45373 8.0608 11.8534 9.11572 11.0622 13.2297 13.1872 6.16063 numMergedOcc 0
35 mol 248 unq 0 iso 0 dist 8.50864 9.05018 13.1523 6.48757 13.4404 5.0345 7.69895 10.1857 4.58289 6.07192 numMergedOcc 0
36 mol 259 unq 0 iso 0 dist 6.77938 8.03219 8.90322 5.31048 11.4462 8.84648 12.0576 16.982 10.282 7.48005 numMergedOcc 0
37 mol 259 unq 1 iso 0 dist 6.77938 8.03219 8.90322 5.31048 11.4462 8.84648 5.30224 4.99891 4.04513 8.37865 numMergedOcc 0
38 mol 259 unq 2 iso 0 dist 6.77938 6.9899 9.2872 5.31048 11.4462 6.23661 12.0576 16.982 10.067 7.48005 numMergedOcc 0
39 mol 259 unq 3 iso 0 dist 6.77938 6.9899 9.2872 5.31048 11.4462 6.23661 5.30224 4.99891 7.09907 8.37865 numMergedOcc 0
40 mol 259 unq 4 iso 0 dist 7.76676 8.03219 7.27192 5.31048 9.64797 8.84648 12.0576 13.546 10.282 7.48005 numMergedOcc 0
41 mol 259 unq 5 iso 0 dist 7.76676 8.03219 7.27192 5.31048 9.64797 8.84648 5.30224 5.32839 4.04513 8.37865 numMergedOcc 0
42 mol 259 unq 6 iso 0 dist 7.76676 6.9899 4.61451 5.31048 9.64797 6.23661 12.0576 13.546 10.067 7.48005 numMergedOcc 0
43 mol 259 unq 7 iso 0 dist 7.76676 6.9899 4.61451 5.31048 9.64797 6.23661 5.30224 5.32839 7.09907 8.37865 numMergedOcc 0
44 mol 274 unq 0 iso 0 dist 6.50589 6.4611 5.70568 5.31116 8.49866 6.66172 10.7806 14.168 8.87855 9.19234 numMergedOcc 0
