0 mol 58 unq 0 iso 0 dist 4.88613 9.80755 8.89374 14.311 11.0355 7.93481 5.84625 5.49591 9.11258 13.9844 numMergedOcc 0
1 mol 74 unq 0 iso 0 dist 9.99155 3.94075 8.96501 5.23115 4.79817 4.79413 7.26263 8.1988 8.48471 5.74282 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 9.44078 9.76996 8.39016 10.2808 8.89062 7.54496 15.4206 9.60325 9.56752 6.44963 numMergedOcc 0
3 mol 90 unq 1 iso 0 dist 5.9179 4.97513 8.39016 7.86269 8.89062 7.54496 11.4116 9.60325 9.56752 6.44963 numMergedOcc 0
4 mol 90 unq 2 iso 0 dist 9.34782 4.97513 6.99355 7.86269 10.1287 7.54496 11.4116 7.25602 9.56752 6.44963 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 4.98864 5.46352 6.99777 11.2871 7.3094 9.9928 6.66022 5.22052 5.60389 9.18958 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 7.95871 10.3995 6.99777 14.361 7.3094 9.9928 11.2341 5.22052 5.60389 9.18958 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 7.91337 6.02826 7.39889 12.0395 4.91594 9.05798 8.4733 5.92984 7.26955 7.34151 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 7.91337 6.02826 7.39889 10.1992 9.3046 5.85818 8.4733 5.92984 7.26955 11.7884 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 5.86531 5.80615 7.92688 7.34386 8.6769 9.4062 6.42904 5.92062 6.51868 4.35684 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 5.86531 5.80615 7.92688 7.34386 8.6769 9.4062 10.0298 6.61891 7.34698 11.668 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 9.84952 11.14 7.98142 16.093 9.92777 5.49808 13.401 5.63555 5.97685 6.12563 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 9.84952 10.9006 7.37327 16.093 9.92777 7.96291 13.401 5.63555 8.9289 6.12563 numMergedOcc 0
13 mol 235 unq 0 iso 0 dist 9.11256 14.9183 9.58736 21.9326 15.0089 9.31673 20.5976 15.6327 7.31773 5.92143 numMergedOcc 0
14 mol 235 unq 1 iso 0 dist 7.08539 4.28284 9.58736 11.7217 15.0089 9.31673 11.2839 15.6327 7.31773 5.92143 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 9.12507 4.09442 8.37865 9.30428 7.31951 6.39918 8.90398 8.75685 8.71497 6.31909 numMergedOcc 0
16 mol 264 unq 0 iso 0 dist 8.43858 15.8008 9.5784 16.7186 8.45726 6.5422 13.7665 7.52936 7.34094 6.67381 numMergedOcc 0
