0 mol 8 unq 0 iso 0 dist 7.58816 8.79328 4.92734 13.2172 7.0822 8.33604 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 8.66843 5.68664 9.17045 11.1486 10.9036 6.99408 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.91313 7.49081 9.70415 15.1444 10.4362 8.76003 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 6.40355 10.1498 8.41567 10.8071 7.5192 6.21982 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 6.40355 4.57694 5.56964 12.7988 11.2136 8.97793 numMergedOcc 0
5 mol 76 unq 2 iso 0 dist 6.40355 4.57694 5.56964 10.8071 7.5192 8.19682 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.03472 4.56886 5.90776 11.2487 11.7423 7.96555 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 9.40274 5.1219 5.90776 11.2591 11.7423 7.96555 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 5.87592 6.59772 8.97043 9.44544 7.266 9.66954 numMergedOcc 0
9 mol 115 unq 1 iso 0 dist 5.87592 6.59772 8.97043 12.7883 11.6637 7.64585 numMergedOcc 0
10 mol 115 unq 2 iso 0 dist 8.37388 4.86477 8.97043 12.2966 7.266 9.66954 numMergedOcc 0
11 mol 115 unq 3 iso 0 dist 8.37388 4.86477 8.97043 10.1292 11.6637 7.64585 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 6.80942 4.94973 5.68636 7.50392 7.441 9.38946 numMergedOcc 0
13 mol 155 unq 1 iso 0 dist 6.80942 4.94973 5.68636 8.77391 6.79302 7.36102 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 9.39697 8.95444 8.3705 16.9869 12.124 8.36117 numMergedOcc 0
15 mol 195 unq 1 iso 0 dist 9.39697 8.95444 8.3705 13.5753 6.91511 6.77578 numMergedOcc 0
16 mol 218 unq 0 iso 0 dist 9.48833 4.67327 8.2088 10.0242 5.22669 9.50586 numMergedOcc 0
17 mol 218 unq 1 iso 0 dist 9.48833 4.67327 8.2088 7.90156 7.85937 7.13323 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 8.18597 5.92777 7.71761 13.9912 10.1071 8.83563 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.18345 5.33567 6.06422 8.81534 5.58989 5.38637 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 5.83646 5.60375 4.87108 9.57914 5.61491 7.49471 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 5.83646 6.45589 7.64276 12.4585 13.9044 6.55759 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 5.83646 6.45589 7.64276 12.5547 13.3748 7.02475 numMergedOcc 0
23 mol 238 unq 4 iso 0 dist 5.83646 6.45589 7.64276 10.4661 11.6924 7.67322 numMergedOcc 0
24 mol 238 unq 5 iso 0 dist 5.83646 6.45589 7.64276 9.57914 5.61491 7.19008 numMergedOcc 0
25 mol 241 unq 0 iso 0 dist 7.30582 11.3529 8.98668 17.5959 13.6264 6.83797 numMergedOcc 0
26 mol 256 unq 0 iso 0 dist 8.88264 6.4717 5.98967 11.21 6.25507 5.24676 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 9.80725 12.7699 8.57619 9.53092 5.4536 8.37865 numMergedOcc 0
28 mol 272 unq 0 iso 0 dist 9.89289 9.37952 7.31993 17.7717 13.7563 9.09992 numMergedOcc 0
29 mol 272 unq 1 iso 0 dist 9.89289 9.37952 7.31993 10.7223 5.91451 6.16449 numMergedOcc 0
