0 mol 26 unq 0 iso 0 dist 8.62527 3.30063 8.36742 9.7522 4.52042 7.98005 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.62527 8.44515 8.10028 9.7522 4.52042 8.31381 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 5.68877 12.1168 7.07773 7.10899 4.30086 9.99939 numMergedOcc 0
3 mol 38 unq 0 iso 0 dist 7.88321 3.47751 9.1568 5.73067 6.31521 8.83233 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 8.66843 4.46825 8.55903 11.5838 8.60899 8.27463 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 6.04611 7.21901 6.50622 11.351 5.58109 9.85512 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 6.04611 5.83035 4.45433 11.351 5.58109 8.97888 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 8.18252 3.8493 5.85622 4.50572 11.8887 7.92856 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 7.55531 3.78499 5.85622 9.27497 11.8887 7.92856 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 8.85708 13.3692 8.16392 18.4963 11.8473 7.42146 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 4.69926 8.8615 8.12319 9.82534 5.25879 8.81797 numMergedOcc 0
11 mol 130 unq 1 iso 0 dist 4.69926 8.8615 8.12319 8.83115 5.26656 9.81269 numMergedOcc 0
12 mol 130 unq 2 iso 0 dist 4.69926 8.8615 8.12319 13.5125 10.9365 5.92733 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 7.46875 3.97269 8.44004 7.81337 5.29825 8.80895 numMergedOcc 0
14 mol 175 unq 0 iso 0 dist 8.43256 10.3387 7.19751 12.4136 9.72213 9.19156 numMergedOcc 0
15 mol 175 unq 1 iso 0 dist 8.14202 7.28678 7.19751 10.1817 9.72213 9.19156 numMergedOcc 0
16 mol 175 unq 2 iso 0 dist 9.51041 3.47137 7.10869 8.58906 12.5716 9.32259 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 9.14877 3.59953 7.39733 9.84952 7.07865 8.29467 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 8.18021 3.59953 8.74268 9.84952 13.9526 8.29467 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 8.21479 9.5606 4.76819 12.9453 5.20266 8.60731 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 7.32196 4.71803 5.90826 9.32451 6.13639 8.94231 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 7.32196 4.71803 5.90826 11.5933 5.59848 8.88652 numMergedOcc 0
22 mol 238 unq 2 iso 0 dist 7.32196 4.71803 5.90826 10.7555 7.17967 6.46771 numMergedOcc 0
23 mol 239 unq 0 iso 0 dist 9.87224 13.7613 7.99963 13.2218 4.77446 4.43499 numMergedOcc 0
24 mol 257 unq 0 iso 0 dist 9.27027 11.7751 8.81508 7.82899 6.64096 9.6834 numMergedOcc 0
25 mol 257 unq 1 iso 0 dist 7.87058 8.91326 8.81508 12.5188 6.64096 9.6834 numMergedOcc 0
26 mol 265 unq 0 iso 0 dist 8.70514 8.80592 7.7096 14.0295 11.263 8.54108 numMergedOcc 0
27 mol 265 unq 1 iso 0 dist 8.6462 11.7178 7.7096 13.5872 11.263 8.54108 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 9.2899 12.2 8.27039 12.9938 5.81799 4.49592 numMergedOcc 0
