0 mol 26 unq 0 iso 0 dist 8.62527 9.7522 4.52042 3.30063 8.36742 7.98005 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 8.62527 9.7522 4.52042 8.44515 8.10028 8.31381 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 5.68877 7.10899 4.30086 5.22301 9.36493 11.3695 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 5.68877 7.10899 4.30086 9.36704 9.0665 13.0621 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 5.68877 7.10899 4.30086 12.1168 7.07773 9.99939 numMergedOcc 0
5 mol 38 unq 0 iso 0 dist 7.88321 5.73067 6.31521 3.47751 9.1568 8.83233 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 8.34361 5.97635 5.65405 2.97898 9.63616 8.31068 numMergedOcc 0
7 mol 64 unq 0 iso 0 dist 7.49861 8.99491 11.6779 4.24381 9.05343 13.143 numMergedOcc 0
8 mol 64 unq 1 iso 0 dist 6.2165 8.99491 10.1207 4.24381 7.71528 13.143 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 8.18252 4.50572 11.8887 3.8493 5.85622 7.92856 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 6.34794 7.09405 4.98189 3.78921 9.67207 10.8601 numMergedOcc 0
11 mol 131 unq 0 iso 0 dist 7.46875 7.81337 5.29825 3.97269 8.44004 8.80895 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 8.5081 7.26897 10.7202 11.9194 6.1247 15.5495 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 9.51041 8.58906 12.5716 3.47137 7.10869 9.32259 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 9.14877 9.84952 7.07865 8.75517 8.07518 8.86172 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 9.14877 9.84952 7.07865 3.59953 7.39733 8.29467 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 8.18021 9.84952 13.9526 3.59953 8.74268 8.29467 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 7.86364 9.86371 13.4294 3.42123 8.92555 12.3169 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 8.21479 7.70279 8.14537 9.5606 4.76819 11.5998 numMergedOcc 0
19 mol 232 unq 1 iso 0 dist 8.21479 9.29752 6.1648 9.5606 4.76819 10.879 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 7.32196 9.32451 6.13639 4.71803 5.90826 8.94231 numMergedOcc 0
21 mol 241 unq 0 iso 0 dist 7.30582 8.40773 9.64766 8.48642 9.87415 10.0267 numMergedOcc 0
22 mol 257 unq 0 iso 0 dist 9.27027 6.36911 8.6219 11.7751 8.81508 14.1413 numMergedOcc 0
23 mol 257 unq 1 iso 0 dist 9.27027 7.82899 6.64096 11.7751 8.81508 9.6834 numMergedOcc 0
