0 mol 0 unq 0 iso 0 dist 6.99594 7.65884 6.3267 7.31837 6.0597 8.34244 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.77049 6.67398 7.2199 9.8978 6.0397 9.57198 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.95341 9.03359 7.2199 6.26276 6.0397 9.57198 numMergedOcc 0
3 mol 27 unq 0 iso 0 dist 9.19658 8.05284 8.11206 12.9828 4.73598 8.71752 numMergedOcc 0
4 mol 27 unq 1 iso 0 dist 9.19658 8.05284 8.11206 7.42669 7.47886 7.60283 numMergedOcc 0
5 mol 32 unq 0 iso 0 dist 7.88576 10.2167 7.48825 11.784 7.14527 4.62858 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 8.68726 5.85924 6.5096 12.9701 7.0313 9.2902 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 7.50886 9.22317 9.86739 12.4185 6.76585 8.809 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 7.50886 10.9258 8.39249 12.4185 6.76585 5.79343 numMergedOcc 0
9 mol 114 unq 2 iso 0 dist 6.96057 9.24319 9.49413 16.0115 13.9603 8.809 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 5.58063 10.3316 6.40036 10.2513 5.67953 7.70313 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 8.9344 6.2062 5.99299 11.4454 5.59913 6.51868 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 8.9344 6.2062 5.99299 7.31633 6.27692 7.34698 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 9.16944 5.10076 6.51096 13.2147 7.6506 9.0529 numMergedOcc 0
14 mol 155 unq 1 iso 0 dist 8.02593 5.92486 7.37901 12.8574 5.50045 9.80845 numMergedOcc 0
15 mol 155 unq 2 iso 0 dist 8.02593 5.92486 7.37901 10.463 6.40403 7.55196 numMergedOcc 0
16 mol 155 unq 3 iso 0 dist 8.77391 9.36845 7.37901 10.9644 5.50045 9.80845 numMergedOcc 0
17 mol 155 unq 4 iso 0 dist 8.77391 9.36845 7.37901 13.788 6.40403 7.55196 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 9.00025 6.33235 6.74517 7.98682 8.00091 9.19117 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 8.45395 7.58472 8.20656 5.66363 4.43678 5.95304 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 9.15368 4.24915 8.20656 5.97968 4.43678 5.95304 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 9.20477 5.70246 8.20656 8.63119 4.43678 5.95304 numMergedOcc 0
22 mol 181 unq 3 iso 0 dist 5.41368 7.58472 9.40622 5.66363 6.03415 5.95304 numMergedOcc 0
23 mol 181 unq 4 iso 0 dist 7.96182 4.24915 9.40622 5.97968 6.03415 5.95304 numMergedOcc 0
24 mol 181 unq 5 iso 0 dist 7.90237 5.70246 9.40622 8.63119 6.03415 5.95304 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 9.86352 8.39208 5.89018 15.0712 7.34293 7.10526 numMergedOcc 0
26 mol 204 unq 1 iso 0 dist 9.42374 5.43506 5.89018 14.3041 8.92711 9.55606 numMergedOcc 0
27 mol 235 unq 0 iso 0 dist 9.74324 10.5623 7.27958 12.3837 4.29892 7.95766 numMergedOcc 0
28 mol 235 unq 1 iso 0 dist 8.19915 5.85485 7.27958 12.0156 10.1944 6.54825 numMergedOcc 0
29 mol 243 unq 0 iso 0 dist 8.53888 10.4928 9.1101 8.55613 4.78857 7.12785 numMergedOcc 0
30 mol 243 unq 1 iso 0 dist 8.53888 4.20431 8.93338 8.55613 4.78857 6.66959 numMergedOcc 0
31 mol 243 unq 2 iso 0 dist 9.46855 13.8577 9.1101 12.3886 4.78857 7.12785 numMergedOcc 0
32 mol 243 unq 3 iso 0 dist 9.46855 10.5337 8.93338 12.3886 4.78857 6.66959 numMergedOcc 0
33 mol 270 unq 0 iso 0 dist 8.76013 6.41275 8.39167 8.55914 5.91256 7.89388 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 8.62431 5.95459 8.49866 6.83113 11.0599 9.20749 numMergedOcc 0
