0 mol 2 unq 0 iso 0 dist 9.9335 7.26738 11.0251 10.8368 6.15195 15.1157 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.9335 7.26738 11.0251 6.38677 7.37296 11.3896 numMergedOcc 0
2 mol 4 unq 0 iso 0 dist 6.22303 7.02225 5.79308 6.80703 9.84876 12.5387 numMergedOcc 0
3 mol 4 unq 1 iso 0 dist 6.22303 7.02225 5.79308 5.13908 8.7041 5.31026 numMergedOcc 0
4 mol 4 unq 2 iso 0 dist 8.15534 7.1916 10.8543 11.5591 4.88114 14.7055 numMergedOcc 0
5 mol 7 unq 0 iso 0 dist 9.8592 7.92316 13.2572 7.91041 9.67498 15.3947 numMergedOcc 0
6 mol 38 unq 0 iso 0 dist 6.56791 9.71979 6.25326 6.81855 5.86243 11.9183 numMergedOcc 0
7 mol 55 unq 0 iso 0 dist 5.29239 8.67161 6.63489 6.19827 7.58788 5.62629 numMergedOcc 0
8 mol 55 unq 1 iso 0 dist 5.29239 8.87902 6.37473 6.19827 7.58788 6.15118 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 9.16791 8.53232 11.3604 15.4318 7.09393 15.6834 numMergedOcc 0
10 mol 69 unq 1 iso 0 dist 9.16791 8.53232 11.3604 11.6163 3.87167 12.7584 numMergedOcc 0
11 mol 69 unq 2 iso 0 dist 6.57452 8.53232 10.5803 11.6815 9.22636 14.87 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 9.23755 5.74157 8.57218 12.5791 8.4438 12.0778 numMergedOcc 0
13 mol 102 unq 0 iso 0 dist 6.7095 9.2958 8.26254 13.457 8.63522 16.6838 numMergedOcc 0
14 mol 102 unq 1 iso 0 dist 6.7095 9.2958 8.26254 10.8385 5.43401 13.1894 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 6.15949 5.37661 7.22809 5.67441 5.31281 8.592 numMergedOcc 0
16 mol 114 unq 1 iso 0 dist 6.15949 5.37661 7.22809 10.0602 8.9922 14.0354 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 8.3097 7.19168 5.30074 11.948 8.56593 13.0621 numMergedOcc 0
18 mol 178 unq 0 iso 0 dist 9.3355 7.24761 6.33374 5.50567 6.25455 7.82796 numMergedOcc 0
19 mol 178 unq 1 iso 0 dist 9.3355 7.24761 6.33374 6.1397 8.14441 10.0941 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 5.99718 7.54031 7.58989 9.55761 8.23246 14.954 numMergedOcc 0
21 mol 220 unq 1 iso 0 dist 5.99718 9.95731 4.80815 9.55761 8.23246 7.0166 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 7.95918 8.69185 11.196 4.96171 8.13696 13.4278 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 9.66298 9.12695 16.7638 17.0555 9.70222 24.4845 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 6.85288 7.47768 10.6579 11.71 9.98985 18.6534 numMergedOcc 0
25 mol 279 unq 1 iso 0 dist 6.85288 7.47768 10.6579 10.2918 7.22295 14.6602 numMergedOcc 0
26 mol 279 unq 2 iso 0 dist 6.85288 9.9446 14.7248 11.71 9.98985 21.3318 numMergedOcc 0
27 mol 279 unq 3 iso 0 dist 6.85288 9.9446 14.7248 10.2918 7.22295 19.6014 numMergedOcc 0
28 mol 280 unq 0 iso 0 dist 8.64546 7.53963 13.9012 12.2581 8.57733 17.4234 numMergedOcc 0
29 mol 280 unq 1 iso 0 dist 8.64546 7.53963 13.9012 16.0615 9.05509 21.5071 numMergedOcc 0
30 mol 280 unq 2 iso 0 dist 4.55639 7.53963 6.12141 7.07259 6.83927 9.047 numMergedOcc 0
