0 mol 10 unq 0 iso 0 dist 9.56259 4.94198 7.66496 3.97757 10.6538 8.28764 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.56259 9.62353 8.50202 3.97757 10.6538 9.41355 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 9.47718 8.79378 6.54685 10.9654 8.9459 9.7691 numMergedOcc 0
3 mol 46 unq 1 iso 0 dist 8.9459 9.7691 6.54685 10.9654 9.47718 8.79378 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 4.67917 9.34271 5.96516 14.4502 13.3001 8.69574 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 5.81747 9.34271 7.53537 14.4502 10.0694 8.69574 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.53794 8.48827 17.4664 3.93133 12.389 8.03895 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 9.53794 7.14048 16.6402 3.93133 12.389 5.68873 numMergedOcc 0
8 mol 78 unq 2 iso 0 dist 9.84346 8.48827 15.9532 3.93133 9.46472 8.03895 numMergedOcc 0
9 mol 78 unq 3 iso 0 dist 9.84346 7.14048 14.6188 3.93133 9.46472 5.68873 numMergedOcc 0
10 mol 78 unq 4 iso 0 dist 9.46472 8.03895 15.9532 3.93133 9.84346 8.48827 numMergedOcc 0
11 mol 78 unq 5 iso 0 dist 9.46472 5.68873 14.6188 3.93133 9.84346 7.14048 numMergedOcc 0
12 mol 92 unq 0 iso 0 dist 9.59503 7.29864 13.947 12.0142 19.4968 6.04223 numMergedOcc 0
13 mol 92 unq 1 iso 0 dist 9.59503 7.7399 14.5986 6.46167 10.1965 5.48163 numMergedOcc 0
14 mol 92 unq 2 iso 0 dist 9.61119 7.29864 11.6652 12.0142 15.7588 6.04223 numMergedOcc 0
15 mol 92 unq 3 iso 0 dist 9.61119 7.7399 17.052 6.46167 13.8531 5.48163 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 7.12336 8.52036 5.56456 10.5425 11.6694 8.22722 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 9.70977 6.41183 9.17108 9.03348 15.5366 9.48934 numMergedOcc 0
18 mol 183 unq 0 iso 0 dist 8.15747 7.16035 13.3248 3.75614 8.74903 9.61725 numMergedOcc 0
19 mol 183 unq 1 iso 0 dist 8.15747 7.16035 13.3248 9.96454 16.7842 9.01531 numMergedOcc 0
20 mol 183 unq 2 iso 0 dist 8.15747 6.2675 9.03854 3.75614 8.74903 9.52042 numMergedOcc 0
21 mol 183 unq 3 iso 0 dist 8.74903 9.61725 13.3248 3.75614 8.15747 7.16035 numMergedOcc 0
22 mol 183 unq 4 iso 0 dist 8.74903 9.61725 13.3248 12.8714 16.7842 9.01531 numMergedOcc 0
23 mol 183 unq 5 iso 0 dist 8.74903 9.52042 9.03854 3.75614 8.15747 6.2675 numMergedOcc 0
24 mol 183 unq 6 iso 0 dist 5.44125 7.16035 3.4049 3.75614 7.11505 9.61725 numMergedOcc 0
25 mol 183 unq 7 iso 0 dist 5.44125 7.16035 3.4049 9.96454 8.7143 9.01531 numMergedOcc 0
26 mol 183 unq 8 iso 0 dist 5.44125 6.2675 7.30851 3.75614 7.11505 9.52042 numMergedOcc 0
27 mol 183 unq 9 iso 0 dist 7.11505 9.61725 3.4049 3.75614 5.44125 7.16035 numMergedOcc 0
28 mol 183 unq 10 iso 0 dist 7.11505 9.61725 3.4049 12.8714 8.7143 9.01531 numMergedOcc 0
29 mol 183 unq 11 iso 0 dist 7.11505 9.52042 7.30851 3.75614 5.44125 6.2675 numMergedOcc 0
30 mol 183 unq 12 iso 0 dist 8.7143 9.01531 3.4049 9.96454 5.44125 7.16035 numMergedOcc 0
31 mol 183 unq 13 iso 0 dist 8.7143 9.01531 3.4049 12.8714 7.11505 9.61725 numMergedOcc 0
32 mol 204 unq 0 iso 0 dist 9.91429 8.49554 5.04761 3.78668 11.3502 8.29256 numMergedOcc 0
33 mol 232 unq 0 iso 0 dist 5.29561 9.4726 5.28999 15.8224 13.0319 8.32831 numMergedOcc 0
34 mol 232 unq 1 iso 0 dist 5.29561 9.4726 5.28999 12.5171 10.8236 7.91213 numMergedOcc 0
35 mol 232 unq 2 iso 0 dist 5.29561 9.4726 5.28999 9.9868 9.16638 9.33969 numMergedOcc 0
36 mol 232 unq 3 iso 0 dist 9.16638 9.33969 5.28999 9.9868 5.29561 9.4726 numMergedOcc 0
37 mol 232 unq 4 iso 0 dist 9.16638 9.33969 5.28999 10.8055 13.0319 8.32831 numMergedOcc 0
38 mol 232 unq 5 iso 0 dist 9.16638 9.33969 5.28999 6.05049 10.8236 7.91213 numMergedOcc 0
39 mol 232 unq 6 iso 0 dist 9.16638 7.64079 10.1458 9.60695 16.4646 8.54126 numMergedOcc 0
