0 mol 13 unq 0 iso 0 dist 5.99004 4.42362 9.57675 6.44408 4.56335 7.97656 numMergedOcc 0
1 mol 13 unq 1 iso 0 dist 9.65051 14.6855 9.57675 11.55 4.56335 7.97656 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 9.20373 8.97716 5.7405 10.042 4.29856 5.59773 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 9.67641 12.9715 6.58279 18.3348 11.3953 9.9348 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 9.87911 5.09563 6.73819 10.9243 4.83521 8.01692 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 6.04768 6.14241 4.96613 5.85841 11.3905 9.59261 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 6.04768 6.14241 4.96613 7.00285 4.67519 6.67936 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 6.04768 6.14241 4.96613 11.8527 10.4027 8.25817 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 9.40173 10.8152 4.96613 6.78839 11.3905 9.59261 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 9.40173 10.8152 4.96613 8.02354 4.67519 6.67936 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 9.40173 10.8152 4.96613 13.7128 10.4027 8.25817 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 6.36749 13.5986 9.95103 12.9385 7.16919 6.78459 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.05937 4.92027 6.13508 7.85527 7.45148 9.93703 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 9.21645 5.94065 5.58734 10.5947 6.36778 8.53368 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.93309 4.83663 5.80404 11.6485 5.81428 9.4473 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 8.89361 6.65747 5.08863 14.4545 7.92503 9.84695 numMergedOcc 0
16 mol 147 unq 1 iso 0 dist 8.89361 6.65747 5.08863 12.9376 8.93262 9.18866 numMergedOcc 0
17 mol 156 unq 0 iso 0 dist 6.40435 13.5806 9.6281 10.2339 5.4555 7.30021 numMergedOcc 0
18 mol 156 unq 1 iso 0 dist 6.40435 4.87536 6.22667 9.68507 6.03934 6.71202 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 6.70008 8.21142 9.27911 16.2901 15.6247 8.69888 numMergedOcc 0
20 mol 175 unq 1 iso 0 dist 9.92784 8.21142 8.57607 16.2901 12.7456 8.69888 numMergedOcc 0
21 mol 185 unq 0 iso 0 dist 8.94849 11.6282 8.56136 16.14 8.51873 8.04591 numMergedOcc 0
22 mol 185 unq 1 iso 0 dist 8.7695 4.66784 8.56136 11.758 8.51873 8.04591 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.09667 4.29134 9.53805 10.0278 8.14815 7.66381 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 9.90065 13.2881 8.61546 19.4834 10.8138 9.18675 numMergedOcc 0
25 mol 227 unq 1 iso 0 dist 8.91452 10.9434 7.17024 18.1266 9.98177 9.18675 numMergedOcc 0
