0 mol 43 unq 0 iso 0 dist 7.80117 9.69698 9.02471 15.7652 12.6657 8.80331 16.0184 10.4863 8.95682 6.18002 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 7.80117 9.69698 9.02471 15.8918 14.0654 6.20293 16.0184 10.4863 8.95682 8.38399 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 9.79386 5.90113 9.02471 9.17086 12.6657 8.80331 11.9521 10.4863 8.95682 6.18002 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 9.79386 5.90113 9.02471 10.615 14.0654 6.20293 11.9521 10.4863 8.95682 8.38399 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.85622 11.8887 7.92856 12.9146 8.29813 5.08437 16.7804 11.6496 6.65501 4.4057 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 5.85622 11.8887 7.92856 17.6559 13.2057 6.48948 16.7804 11.6496 6.65501 7.42446 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 5.85622 11.8887 7.92856 14.9393 12.7473 6.10456 16.7804 11.6496 6.65501 9.67482 numMergedOcc 0
7 mol 102 unq 0 iso 0 dist 9.5434 5.09542 5.54256 9.84673 3.48119 7.36792 11.4976 7.28191 8.31932 7.42011 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.22398 5.28643 4.76974 8.46684 4.18693 5.39945 5.9575 8.16155 6.97707 5.31484 numMergedOcc 0
9 mol 122 unq 0 iso 0 dist 8.08737 7.21898 4.42563 15.1331 7.90729 8.37808 15.5452 11.3935 9.23819 7.39059 numMergedOcc 0
10 mol 122 unq 1 iso 0 dist 8.08737 7.21898 4.42563 15.1331 7.90729 8.37808 14.8384 8.90201 8.88537 5.0355 numMergedOcc 0
11 mol 130 unq 0 iso 0 dist 8.12319 10.9365 5.92733 13.2314 6.00473 9.28393 6.87196 3.88766 7.96646 6.73735 numMergedOcc 0
12 mol 130 unq 1 iso 0 dist 9.04366 5.63567 5.92733 12.6804 6.00473 9.28393 12.3159 3.88766 7.96646 6.73735 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 8.44004 5.29825 8.80895 12.0117 11.6692 6.85062 5.43662 5.92118 8.70296 14.2045 numMergedOcc 0
14 mol 131 unq 1 iso 0 dist 8.44004 5.29825 8.80895 12.0117 11.6692 6.85062 13.3064 10.2176 9.25558 5.09131 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 7.19751 9.72213 9.19156 13.5463 13.8965 9.29945 15.2004 11.8094 9.39352 7.27408 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 7.39733 7.07865 8.29467 9.79901 6.13927 7.81386 5.25309 3.63671 5.94469 7.77758 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 7.39733 7.07865 8.29467 13.7928 13.2274 7.63312 5.25309 3.63671 5.94469 12.5387 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 8.74268 13.9526 8.29467 11.2136 6.13927 7.81386 10.1186 3.63671 5.94469 7.77758 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 8.74268 13.9526 8.29467 18.7611 13.2274 7.63312 10.1186 3.63671 5.94469 12.5387 numMergedOcc 0
20 mol 231 unq 0 iso 0 dist 6.8533 10.613 7.3268 8.91036 6.63423 7.37839 10.7108 4.02097 7.79066 9.0443 numMergedOcc 0
21 mol 231 unq 1 iso 0 dist 6.8533 10.613 7.3268 12.2364 10.3815 8.40182 10.7108 4.02097 7.79066 12.1512 numMergedOcc 0
22 mol 231 unq 2 iso 0 dist 8.8788 6.39215 9.9868 12.9999 16.456 7.37839 12.7446 10.5016 7.79066 9.0443 numMergedOcc 0
23 mol 231 unq 3 iso 0 dist 8.8788 6.39215 9.9868 12.3939 17.7601 8.40182 12.7446 10.5016 7.79066 12.1512 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 7.99963 4.77446 4.43499 6.83046 4.32238 6.16342 10.3104 5.76503 8.84636 4.30299 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 5.57978 10.4505 5.4557 8.44862 4.02333 6.97229 10.5461 7.26991 7.6595 6.7919 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 8.27039 5.81799 4.49592 13.4688 5.99797 8.2734 6.68183 5.06937 7.07965 10.8848 numMergedOcc 0
