0 mol 19 unq 0 iso 0 dist 8.87604 7.89092 8.19695 10.5638 9.32205 9.80108 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.87604 7.89092 8.19695 13.0647 13.0631 8.58657 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 9.61335 12.5648 7.60283 17.7716 14.3929 9.77484 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.55279 4.50806 9.2902 10.5281 9.64444 6.71911 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 9.33276 11.3473 7.09065 12.548 9.36726 9.39469 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 9.33276 11.3473 7.09065 13.7717 7.16919 4.76815 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 7.27601 16.3901 9.83981 20.93 13.7032 6.73814 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 6.75179 10.6528 7.70313 18.2011 14.0688 7.76729 numMergedOcc 0
8 mol 141 unq 0 iso 0 dist 6.03852 5.29975 5.26989 11.5041 7.42649 6.93652 numMergedOcc 0
9 mol 141 unq 1 iso 0 dist 6.03852 5.29975 5.26989 12.3198 8.39549 9.54444 numMergedOcc 0
10 mol 141 unq 2 iso 0 dist 6.26056 5.29975 7.76442 11.5041 10.6531 6.93652 numMergedOcc 0
11 mol 141 unq 3 iso 0 dist 6.26056 5.29975 7.76442 12.3198 8.43221 9.54444 numMergedOcc 0
12 mol 141 unq 4 iso 0 dist 8.97069 6.38237 5.26989 11.6996 7.42649 6.93652 numMergedOcc 0
13 mol 141 unq 5 iso 0 dist 8.97069 6.38237 5.26989 11.4951 8.39549 9.54444 numMergedOcc 0
14 mol 141 unq 6 iso 0 dist 5.7251 6.38237 7.76442 11.6996 10.6531 6.93652 numMergedOcc 0
15 mol 141 unq 7 iso 0 dist 5.7251 6.38237 7.76442 11.4951 8.43221 9.54444 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 7.3879 6.76195 8.41245 11.173 6.14414 7.93331 numMergedOcc 0
17 mol 173 unq 1 iso 0 dist 7.3879 6.76195 8.41245 9.72828 5.27321 6.98095 numMergedOcc 0
18 mol 173 unq 2 iso 0 dist 7.3879 6.76195 8.41245 13.8096 10.8609 8.31897 numMergedOcc 0
19 mol 173 unq 3 iso 0 dist 9.70728 6.76195 6.64779 11.173 4.72839 7.93331 numMergedOcc 0
20 mol 173 unq 4 iso 0 dist 9.70728 6.76195 6.64779 9.72828 8.07089 6.98095 numMergedOcc 0
21 mol 173 unq 5 iso 0 dist 9.70728 6.76195 6.64779 13.8096 5.70743 8.31897 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 9.89987 13.7713 9.06217 14.6912 6.6251 6.94688 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 9.89987 9.77651 7.13252 14.6912 6.6251 6.71012 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 9.91457 9.29611 7.05653 13.6771 7.77758 4.93785 numMergedOcc 0
25 mol 192 unq 0 iso 0 dist 9.71614 5.10844 7.33225 13.2648 8.49529 8.36822 numMergedOcc 0
26 mol 192 unq 1 iso 0 dist 8.81185 5.36014 7.33225 12.2815 8.49529 8.36822 numMergedOcc 0
27 mol 225 unq 0 iso 0 dist 6.27438 6.4725 9.47117 9.30186 8.32583 5.50387 numMergedOcc 0
28 mol 234 unq 0 iso 0 dist 9.45787 5.04225 7.43663 7.17987 10.0059 9.5707 numMergedOcc 0
29 mol 234 unq 1 iso 0 dist 9.45787 12.3321 7.94068 12.6184 5.08515 9.39181 numMergedOcc 0
30 mol 241 unq 0 iso 0 dist 5.50061 8.63376 8.00537 5.57621 4.90279 6.83797 numMergedOcc 0
31 mol 241 unq 1 iso 0 dist 9.08025 5.64355 8.00537 8.28853 4.90279 6.83797 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 9.98231 11.4659 8.71497 11.283 8.81835 7.48005 numMergedOcc 0
33 mol 259 unq 1 iso 0 dist 9.98231 11.4659 8.71497 16.7971 8.75685 8.37865 numMergedOcc 0
34 mol 284 unq 0 iso 0 dist 9.95662 12.6659 6.61376 11.0889 4.50325 4.86729 numMergedOcc 0
