0 mol 1 unq 0 iso 0 dist 7.68779 4.86523 6.86701 9.56692 5.11735 5.96833 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 6.79099 9.05986 5.65084 12.893 7.04695 5.04478 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.04193 7.43516 9.97769 13.037 10.3598 8.13051 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 7.15486 7.43516 9.08221 13.037 11.6697 8.13051 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 6.89185 6.12049 8.65848 5.86276 5.22036 5.47706 numMergedOcc 0
5 mol 78 unq 1 iso 0 dist 6.89185 4.94803 7.25801 5.86276 5.22036 8.89842 numMergedOcc 0
6 mol 78 unq 2 iso 0 dist 7.80757 8.07529 6.85523 8.16546 4.92509 5.47706 numMergedOcc 0
7 mol 78 unq 3 iso 0 dist 7.80757 12.9164 5.77326 8.16546 4.92509 8.07568 numMergedOcc 0
8 mol 78 unq 4 iso 0 dist 5.5849 8.07529 8.65848 8.16546 5.22036 5.47706 numMergedOcc 0
9 mol 78 unq 5 iso 0 dist 5.5849 6.52163 7.25801 8.16546 5.22036 8.89842 numMergedOcc 0
10 mol 78 unq 6 iso 0 dist 9.2835 14.1127 6.85523 13.9157 4.92509 5.47706 numMergedOcc 0
11 mol 78 unq 7 iso 0 dist 9.2835 7.94748 5.77326 13.9157 4.92509 8.07568 numMergedOcc 0
12 mol 78 unq 8 iso 0 dist 5.02591 10.5433 6.85523 9.94668 4.92509 5.47706 numMergedOcc 0
13 mol 78 unq 9 iso 0 dist 5.02591 7.00354 5.77326 9.94668 4.92509 8.07568 numMergedOcc 0
14 mol 78 unq 10 iso 0 dist 8.75605 13.4429 8.65848 12.6977 5.22036 5.47706 numMergedOcc 0
15 mol 78 unq 11 iso 0 dist 8.75605 10.7757 7.25801 12.6977 5.22036 8.89842 numMergedOcc 0
16 mol 89 unq 0 iso 0 dist 8.89514 4.11658 6.53308 10.709 4.46337 9.86405 numMergedOcc 0
17 mol 89 unq 1 iso 0 dist 9.51842 8.74594 6.53308 13.7384 4.46337 9.86405 numMergedOcc 0
18 mol 112 unq 0 iso 0 dist 7.63658 7.35282 9.05166 11.5701 6.35364 8.91262 numMergedOcc 0
19 mol 112 unq 1 iso 0 dist 7.63658 8.43423 5.56994 11.5701 6.35364 6.12922 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 8.59784 13.4766 7.64052 17.9689 10.0197 6.13374 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 8.59784 13.4766 7.64052 17.222 10.6679 9.08536 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 8.72463 7.21648 7.36975 12.3708 6.01455 7.05845 numMergedOcc 0
23 mol 143 unq 1 iso 0 dist 8.72463 7.21648 7.36975 4.86894 5.44503 8.18023 numMergedOcc 0
24 mol 143 unq 2 iso 0 dist 8.72463 9.42107 5.40637 4.86894 5.44503 7.46803 numMergedOcc 0
25 mol 167 unq 0 iso 0 dist 9.73922 8.80332 6.84752 15.0573 7.69326 7.30954 numMergedOcc 0
26 mol 167 unq 1 iso 0 dist 6.64164 5.02648 7.20495 11.137 6.36909 9.1326 numMergedOcc 0
27 mol 167 unq 2 iso 0 dist 6.64164 10.1276 7.02548 11.137 6.36909 7.30954 numMergedOcc 0
28 mol 168 unq 0 iso 0 dist 6.60477 6.54174 6.02086 11.8297 8.67522 7.06851 numMergedOcc 0
29 mol 197 unq 0 iso 0 dist 6.22696 13.0947 9.10817 9.49122 5.2908 9.27218 numMergedOcc 0
30 mol 214 unq 0 iso 0 dist 6.83122 12.8946 7.46481 6.74861 6.67959 8.70987 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 7.13194 13.1414 9.72188 18.8002 15.5674 9.84652 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 7.80166 6.10342 9.72188 12.1997 15.5674 9.84652 numMergedOcc 0
33 mol 238 unq 2 iso 0 dist 9.2521 12.95 9.08509 12.0613 5.17471 5.43613 numMergedOcc 0
34 mol 238 unq 3 iso 0 dist 9.2521 12.95 9.08509 10.5037 5.03393 7.06768 numMergedOcc 0
35 mol 259 unq 0 iso 0 dist 9.47382 11.8307 5.85442 15.0738 5.79468 6.23661 numMergedOcc 0
36 mol 292 unq 0 iso 0 dist 6.8133 11.4338 9.9182 14.1548 9.98079 9.08193 numMergedOcc 0
37 mol 292 unq 1 iso 0 dist 6.8133 11.4338 9.9182 20.0722 18.0293 8.73515 numMergedOcc 0
