0 mol 17 unq 0 iso 0 dist 9.62623 8.84341 14.6861 7.77965 9.21045 7.02884 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 6.68662 5.80623 5.92112 11.3613 9.11084 7.24775 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 9.11084 7.24775 5.92112 11.3613 6.68662 5.80623 numMergedOcc 0
3 mol 28 unq 0 iso 0 dist 9.14653 6.68029 9.243 9.01928 13.3336 6.44166 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 5.97363 7.38868 3.72006 8.27485 10.0152 8.14607 numMergedOcc 0
5 mol 75 unq 0 iso 0 dist 5.72034 8.52499 3.67112 6.21561 6.15203 6.2449 numMergedOcc 0
6 mol 75 unq 1 iso 0 dist 6.15203 6.2449 3.67112 6.21561 5.72034 8.52499 numMergedOcc 0
7 mol 83 unq 0 iso 0 dist 7.0847 6.07433 11.7659 3.44475 9.79554 7.01146 numMergedOcc 0
8 mol 91 unq 0 iso 0 dist 9.13904 8.99674 12.1497 10.8309 14.9475 7.74952 numMergedOcc 0
9 mol 91 unq 1 iso 0 dist 7.10245 8.99674 9.73719 10.8309 11.0702 7.74952 numMergedOcc 0
10 mol 100 unq 0 iso 0 dist 9.74416 6.6157 4.50298 5.35519 11.9911 8.22984 numMergedOcc 0
11 mol 100 unq 1 iso 0 dist 9.74416 6.6157 4.50298 5.0211 9.64454 7.37771 numMergedOcc 0
12 mol 100 unq 2 iso 0 dist 9.64454 7.37771 4.50298 9.94989 11.9911 8.22984 numMergedOcc 0
13 mol 100 unq 3 iso 0 dist 9.64454 7.37771 4.50298 5.0211 9.74416 6.6157 numMergedOcc 0
14 mol 120 unq 0 iso 0 dist 5.71964 8.41086 6.93115 10.4469 12.5441 7.41599 numMergedOcc 0
15 mol 120 unq 1 iso 0 dist 6.82156 8.41086 10.3855 10.4469 15.7211 7.41599 numMergedOcc 0
16 mol 123 unq 0 iso 0 dist 8.57379 5.98187 6.6925 3.65652 6.82663 7.42186 numMergedOcc 0
17 mol 123 unq 1 iso 0 dist 8.57379 5.98187 6.6925 6.84294 11.4155 9.47346 numMergedOcc 0
18 mol 123 unq 2 iso 0 dist 5.87154 7.42186 11.9106 3.65652 9.50933 5.98187 numMergedOcc 0
19 mol 123 unq 3 iso 0 dist 5.87154 7.42186 11.9106 8.81087 13.1465 9.47346 numMergedOcc 0
20 mol 123 unq 4 iso 0 dist 6.82663 7.42186 6.6925 3.65652 8.57379 5.98187 numMergedOcc 0
21 mol 123 unq 5 iso 0 dist 6.82663 7.42186 6.6925 8.81087 11.4155 9.47346 numMergedOcc 0
22 mol 123 unq 6 iso 0 dist 9.93167 9.47346 13.7302 6.84294 12.7002 5.98187 numMergedOcc 0
23 mol 123 unq 7 iso 0 dist 9.93167 9.47346 13.7302 8.81087 11.4423 7.42186 numMergedOcc 0
24 mol 184 unq 0 iso 0 dist 7.79858 5.92785 9.96392 6.72547 13.1526 5.11863 numMergedOcc 0
25 mol 184 unq 1 iso 0 dist 7.19946 5.92785 5.65874 6.72547 10.3996 5.11863 numMergedOcc 0
26 mol 196 unq 0 iso 0 dist 6.64996 5.21339 5.82576 8.14731 11.4052 6.34867 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 9.92621 5.87056 5.78036 7.06479 10.8037 9.55881 numMergedOcc 0
28 mol 272 unq 0 iso 0 dist 5.75554 8.16917 8.47076 13.7606 12.3101 5.9131 numMergedOcc 0
29 mol 278 unq 0 iso 0 dist 6.95272 8.60481 7.27472 9.84223 14.0132 9.58671 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 7.86603 5.62568 5.41757 12.8716 7.17626 8.82948 numMergedOcc 0
31 mol 287 unq 1 iso 0 dist 7.17626 8.82948 5.41757 12.8716 7.86603 5.62568 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 7.86603 5.62568 5.41757 12.8716 7.17626 8.82948 numMergedOcc 0
33 mol 288 unq 1 iso 0 dist 7.17626 8.82948 5.41757 12.8716 7.86603 5.62568 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 7.86603 5.62568 5.41757 12.8716 7.17626 8.82948 numMergedOcc 0
35 mol 289 unq 1 iso 0 dist 7.17626 8.82948 5.41757 12.8716 7.86603 5.62568 numMergedOcc 0
