0 mol 9 unq 0 iso 0 dist 8.77049 11.3797 6.33889 6.67398 7.2199 5.60154 9.8978 6.0397 9.62394 9.57198 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 6.95341 11.7623 6.33889 9.03359 7.2199 5.60154 6.26276 6.0397 9.62394 9.57198 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 7.88576 14.4244 8.68559 10.2167 7.48825 6.68431 11.784 7.14527 7.99969 4.62858 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.68726 10.8906 8.24062 5.85924 6.5096 5.33688 12.9701 7.0313 6.73347 9.2902 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 7.50886 9.09179 6.73814 9.22317 9.86739 12.1324 12.4185 6.76585 9.39063 8.809 numMergedOcc 0
5 mol 114 unq 1 iso 0 dist 7.50886 9.09179 6.73814 10.9258 8.39249 6.95201 12.4185 6.76585 9.39063 5.79343 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 5.58063 5.24961 7.64585 10.3316 6.40036 10.7942 10.2513 5.67953 13.3009 7.70313 numMergedOcc 0
7 mol 155 unq 0 iso 0 dist 9.16944 5.01118 9.17284 5.10076 6.51096 6.3845 13.2147 7.6506 10.9606 9.0529 numMergedOcc 0
8 mol 155 unq 1 iso 0 dist 9.16944 10.1253 9.87281 5.10076 6.51096 5.48883 13.2147 7.6506 8.69157 9.0529 numMergedOcc 0
9 mol 155 unq 2 iso 0 dist 9.16944 9.88413 8.87452 5.10076 6.51096 5.77564 13.2147 7.6506 10.8572 9.0529 numMergedOcc 0
10 mol 155 unq 3 iso 0 dist 8.02593 5.01007 7.39644 5.92486 7.37901 5.40375 12.8574 5.50045 11.1616 9.80845 numMergedOcc 0
11 mol 155 unq 4 iso 0 dist 8.02593 5.01007 7.39644 5.92486 7.37901 5.40375 10.463 6.40403 6.53347 7.55196 numMergedOcc 0
12 mol 155 unq 5 iso 0 dist 8.02593 9.80448 7.36102 5.92486 7.37901 6.34186 12.8574 5.50045 7.92304 9.80845 numMergedOcc 0
13 mol 155 unq 6 iso 0 dist 8.02593 9.80448 7.36102 5.92486 7.37901 6.34186 10.463 6.40403 10.3161 7.55196 numMergedOcc 0
14 mol 155 unq 7 iso 0 dist 8.77391 12.7814 7.39644 9.36845 7.37901 5.40375 10.9644 5.50045 11.1616 9.80845 numMergedOcc 0
15 mol 155 unq 8 iso 0 dist 8.77391 12.7814 7.39644 9.36845 7.37901 5.40375 13.788 6.40403 6.53347 7.55196 numMergedOcc 0
16 mol 155 unq 9 iso 0 dist 8.77391 4.94973 7.36102 9.36845 7.37901 6.34186 10.9644 5.50045 7.92304 9.80845 numMergedOcc 0
17 mol 155 unq 10 iso 0 dist 8.77391 4.94973 7.36102 9.36845 7.37901 6.34186 13.788 6.40403 10.3161 7.55196 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 8.45395 9.47799 6.94688 7.58472 8.20656 8.25067 5.66363 4.43678 8.90963 5.95304 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 9.15368 9.09989 6.94688 4.24915 8.20656 8.25067 5.97968 4.43678 8.90963 5.95304 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 9.20477 4.98009 6.94688 5.70246 8.20656 8.25067 8.63119 4.43678 8.90963 5.95304 numMergedOcc 0
21 mol 181 unq 3 iso 0 dist 5.41368 9.47799 6.71012 7.58472 9.40622 8.25067 5.66363 6.03415 8.90963 5.95304 numMergedOcc 0
22 mol 181 unq 4 iso 0 dist 7.96182 9.09989 6.71012 4.24915 9.40622 8.25067 5.97968 6.03415 8.90963 5.95304 numMergedOcc 0
23 mol 181 unq 5 iso 0 dist 7.90237 4.98009 6.71012 5.70246 9.40622 8.25067 8.63119 6.03415 8.90963 5.95304 numMergedOcc 0
24 mol 235 unq 0 iso 0 dist 9.74324 13.6747 5.65339 10.5623 7.27958 6.43692 12.3837 4.29892 6.95126 7.95766 numMergedOcc 0
25 mol 235 unq 1 iso 0 dist 8.19915 6.84447 8.21247 5.85485 7.27958 10.6981 12.0156 10.1944 16.4912 6.54825 numMergedOcc 0
26 mol 243 unq 0 iso 0 dist 8.53888 10.3202 8.61104 10.4928 9.1101 6.55284 8.55613 4.78857 10.0978 7.12785 numMergedOcc 0
27 mol 243 unq 1 iso 0 dist 8.53888 10.3202 8.61104 4.20431 8.93338 10.5389 8.55613 4.78857 10.0978 6.66959 numMergedOcc 0
28 mol 243 unq 2 iso 0 dist 9.46855 10.1405 8.61104 13.8577 9.1101 6.55284 12.3886 4.78857 10.0978 7.12785 numMergedOcc 0
29 mol 243 unq 3 iso 0 dist 9.46855 10.1405 8.61104 10.5337 8.93338 10.5389 12.3886 4.78857 10.0978 6.66959 numMergedOcc 0
30 mol 274 unq 0 iso 0 dist 8.62431 4.56913 6.50589 5.95459 8.49866 5.31116 6.83113 11.0599 10.5387 9.20749 numMergedOcc 0
