0 mol 43 unq 0 iso 0 dist 5.44077 9.38335 6.81966 5.16403 9.05728 10.1557 4.89928 6.34215 12.6221 9.49478 numMergedOcc 0
1 mol 133 unq 0 iso 0 dist 8.06614 8.6561 5.86611 5.27217 7.15203 7.71248 10.7814 9.7105 13.0475 6.9945 numMergedOcc 0
2 mol 171 unq 0 iso 0 dist 6.20851 6.21194 6.4423 9.22906 6.01711 9.61462 9.12839 9.67711 7.47964 7.5383 numMergedOcc 0
3 mol 186 unq 0 iso 0 dist 5.83898 9.20646 8.30089 9.40372 9.08672 14.9799 10.2261 9.77333 17.6451 7.31335 numMergedOcc 0
4 mol 219 unq 0 iso 0 dist 7.26376 7.13099 6.66401 5.0241 8.09769 7.59632 8.72864 8.3704 13.4617 11.3569 numMergedOcc 0
5 mol 219 unq 1 iso 0 dist 7.26376 7.13099 6.66401 4.36122 7.24832 10.3776 8.72864 8.3704 13.4617 4.78402 numMergedOcc 0
6 mol 220 unq 0 iso 0 dist 8.55805 6.32097 5.45485 15.5892 7.30244 11.1525 5.06821 8.63649 9.23863 14.9028 numMergedOcc 0
7 mol 220 unq 1 iso 0 dist 8.55805 6.32097 5.45485 15.0704 7.29796 12.3455 5.06821 8.63649 9.23863 14.1071 numMergedOcc 0
8 mol 258 unq 0 iso 0 dist 9.52903 8.63176 15.1358 14.2753 9.67877 21.3175 11.7204 9.6327 20.1454 6.95359 numMergedOcc 0
9 mol 258 unq 1 iso 0 dist 9.52903 8.63176 15.1358 7.52881 8.81059 11.2102 11.7204 9.6327 20.1454 13.987 numMergedOcc 0
10 mol 258 unq 2 iso 0 dist 9.52903 8.63176 15.1358 12.3042 9.12006 15.2576 11.7204 9.6327 20.1454 15.8856 numMergedOcc 0
11 mol 273 unq 0 iso 0 dist 6.73794 6.38341 7.10817 5.75973 6.54753 8.83865 3.80794 8.66133 7.85836 4.24707 numMergedOcc 0
12 mol 273 unq 1 iso 0 dist 6.73794 6.38341 7.10817 5.75973 6.54753 8.83865 13.255 6.95569 10.5213 12.634 numMergedOcc 0
13 mol 273 unq 2 iso 0 dist 6.73794 9.78826 4.30863 5.75973 6.54753 10.7715 3.80794 8.66133 12.528 4.24707 numMergedOcc 0
14 mol 273 unq 3 iso 0 dist 6.73794 9.78826 4.30863 5.75973 6.54753 10.7715 13.255 6.95569 5.61969 12.634 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 7.47179 8.42076 12.5027 11.3154 7.13655 16.6094 9.23896 6.06665 12.438 4.79186 numMergedOcc 0
16 mol 288 unq 0 iso 0 dist 7.47179 8.42076 12.5027 11.3154 7.13655 16.6094 9.23896 6.06665 12.438 4.79186 numMergedOcc 0
17 mol 289 unq 0 iso 0 dist 7.47179 8.42076 12.5027 11.3154 7.13655 16.6094 9.23896 6.06665 12.438 4.79186 numMergedOcc 0
