0 mol 48 unq 0 iso 0 dist 8.02004 13.2553 6.04551 12.5905 6.62574 6.8073 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 8.02004 13.2553 6.04551 17.4657 9.48836 5.60663 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 6.35042 5.28841 6.04551 8.58319 6.62574 6.8073 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 6.35042 5.28841 6.04551 10.8714 9.48836 5.60663 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 7.77714 13.11 6.01454 12.6295 6.98858 6.42242 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 6.46118 4.99432 6.01454 8.31952 6.98858 6.42242 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 5.65519 7.26196 6.08228 15.3778 11.3115 9.23947 numMergedOcc 0
7 mol 111 unq 0 iso 0 dist 5.05141 10.2176 8.83191 10.4424 5.67736 9.63728 numMergedOcc 0
8 mol 126 unq 0 iso 0 dist 9.50807 9.15449 7.25133 15.0546 11.5654 6.62527 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 8.57284 9.73725 9.45847 10.3862 13.3059 4.88303 numMergedOcc 0
10 mol 184 unq 1 iso 0 dist 5.34832 12.6902 9.45847 15.6759 13.3059 4.88303 numMergedOcc 0
11 mol 198 unq 0 iso 0 dist 7.2078 7.26405 4.58291 11.8034 5.47473 8.28295 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 8.98518 9.07015 8.98362 11.6317 14.9758 8.32948 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 9.3888 5.58779 8.98362 13.4905 14.9758 8.32948 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 7.90449 5.28237 5.38325 12.2589 5.34167 8.89981 numMergedOcc 0
15 mol 239 unq 1 iso 0 dist 7.76984 4.95913 8.34832 9.26512 15.1473 6.91534 numMergedOcc 0
16 mol 239 unq 2 iso 0 dist 7.76984 4.95913 8.34832 12.9088 16.5164 8.67704 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 9.744 6.51459 7.41298 12.258 6.97807 9.30143 numMergedOcc 0
18 mol 241 unq 1 iso 0 dist 7.62827 6.51459 9.99337 12.258 9.37079 9.30143 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 8.08789 7.41755 9.58767 10.9871 7.48646 9.50983 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 7.87939 5.26607 8.61786 5.62193 5.4894 9.54381 numMergedOcc 0
21 mol 271 unq 0 iso 0 dist 8.98817 10.1974 8.07242 8.94363 7.0065 5.75889 numMergedOcc 0
22 mol 280 unq 0 iso 0 dist 8.51073 8.24036 7.02503 10.2233 11.9041 9.38952 numMergedOcc 0
23 mol 280 unq 1 iso 0 dist 6.30852 8.34793 9.05509 10.2233 11.0648 7.42529 numMergedOcc 0
