0 mol 19 unq 0 iso 0 dist 6.41045 7.64353 4.51865 13.3276 8.4674 5.80928 11.8683 6.74265 8.58657 9.58539 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 9.83775 13.0222 7.71095 5.82428 8.84665 12.5396 11.7128 5.33688 6.71911 12.8699 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 9.83775 13.0222 7.71095 10.1226 8.25513 8.19458 11.7128 5.33688 6.71911 11.6249 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 7.23812 12.8453 9.96396 9.59988 6.19304 5.4148 12.6465 7.41074 8.70133 4.65521 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 7.23812 12.8453 9.96396 7.80518 8.70481 14.9342 12.6465 7.41074 8.70133 15.9587 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 7.23812 9.59988 6.19304 12.8453 9.96396 5.4148 12.6465 7.41074 4.65521 8.70133 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 7.23812 9.59988 6.19304 7.80518 8.70481 13.3558 12.6465 7.41074 4.65521 15.9587 numMergedOcc 0
7 mol 85 unq 0 iso 0 dist 9.67557 9.9705 6.19965 6.53819 7.95579 4.26409 19.1239 11.6116 9.47876 13.6587 numMergedOcc 0
8 mol 85 unq 1 iso 0 dist 9.67557 9.9705 6.19965 15.3279 7.66905 6.9948 19.1239 11.6116 9.47876 7.22293 numMergedOcc 0
9 mol 85 unq 2 iso 0 dist 9.67557 15.3279 7.66905 6.53819 7.95579 10.7229 19.1239 11.6116 7.22293 13.6587 numMergedOcc 0
10 mol 85 unq 3 iso 0 dist 9.67557 15.3279 7.66905 9.9705 6.19965 6.9948 19.1239 11.6116 7.22293 9.47876 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 9.22737 12.9061 7.47343 6.60925 6.65086 8.8807 16.7847 10.1589 8.72704 10.5193 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 16.7847 10.1589 8.72704 15.8984 numMergedOcc 0
13 mol 100 unq 2 iso 0 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 16.7847 10.1589 8.72704 14.8726 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 7.9258 10.9791 9.33865 4.75197 5.83991 7.69052 12.6726 6.09023 9.66954 8.66155 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 7.9258 10.9791 9.33865 4.75197 5.83991 7.69052 13.8918 10.2377 7.64585 12.2309 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 7.9258 4.75197 5.83991 10.9791 9.33865 7.69052 12.6726 6.09023 8.66155 9.66954 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 9.92165 12.7439 8.85478 10.1227 9.65138 4.40923 15.621 6.67959 7.46831 10.852 numMergedOcc 0
18 mol 214 unq 1 iso 0 dist 9.92165 12.7439 8.85478 6.83063 7.14453 11.3796 15.621 6.67959 7.46831 12.6888 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 6.77368 10.4837 7.54212 8.47937 6.00706 6.8425 13.2111 7.61682 7.18956 10.8957 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 7.73634 9.69122 7.54212 4.81992 6.00706 6.8425 11.3246 7.61682 7.18956 10.8957 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 8.80858 4.93626 6.60589 4.46743 6.65832 6.77699 10.7011 6.12232 6.65984 11.0097 numMergedOcc 0
22 mol 224 unq 1 iso 0 dist 8.80858 4.93626 6.60589 11.8641 9.16166 8.49799 10.7011 6.12232 6.65984 10.667 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 6.61371 5.03564 6.84306 9.63949 7.68742 7.28249 11.0934 11.3552 7.17676 5.34718 numMergedOcc 0
24 mol 236 unq 1 iso 0 dist 6.61371 5.03564 6.84306 9.63949 7.68742 7.28249 11.5406 11.6837 6.68463 10.5713 numMergedOcc 0
25 mol 236 unq 2 iso 0 dist 6.61371 9.63949 7.68742 5.03564 6.84306 7.28249 11.0934 11.3552 5.34718 7.17676 numMergedOcc 0
26 mol 236 unq 3 iso 0 dist 5.90804 13.6195 9.99038 7.45579 6.27581 7.28249 10.3387 6.04825 7.17676 5.34718 numMergedOcc 0
27 mol 236 unq 4 iso 0 dist 5.90804 13.6195 9.99038 7.45579 6.27581 7.28249 14.2759 8.8265 6.68463 10.5713 numMergedOcc 0
28 mol 236 unq 5 iso 0 dist 5.90804 7.45579 6.27581 13.6195 9.99038 7.28249 10.3387 6.04825 5.34718 7.17676 numMergedOcc 0
29 mol 282 unq 0 iso 0 dist 7.71088 5.86383 8.04483 11.2986 8.76532 10.0156 10.5569 6.3384 6.85028 10.4802 numMergedOcc 0
30 mol 282 unq 1 iso 0 dist 7.71088 5.86383 8.04483 7.46064 6.33524 5.39891 10.5569 6.3384 6.85028 7.32347 numMergedOcc 0
31 mol 282 unq 2 iso 0 dist 7.71088 7.46064 6.33524 5.86383 8.04483 5.39891 10.5569 6.3384 7.32347 6.85028 numMergedOcc 0
32 mol 282 unq 3 iso 0 dist 7.71088 7.46064 6.33524 11.2986 8.76532 4.66602 10.5569 6.3384 7.32347 10.4802 numMergedOcc 0
