0 mol 18 unq 0 iso 0 dist 8.24798 6.39307 4.95319 4.25207 6.39243 5.65084 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.02079 6.39307 6.19959 4.25207 9.1715 5.65084 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.62527 9.90986 8.90517 14.3129 14.3774 9.12845 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 8.66843 8.69574 6.3858 5.68664 9.17045 5.94756 numMergedOcc 0
4 mol 81 unq 0 iso 0 dist 7.41802 5.73799 4.85657 5.65355 10.4934 7.07095 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.40274 9.54368 5.30951 5.1219 5.90776 7.13008 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 8.04448 5.33961 10.3972 11.1668 11.1321 9.64383 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 8.04448 5.33961 10.3972 12.7318 17.1242 7.54889 numMergedOcc 0
8 mol 98 unq 2 iso 0 dist 8.04448 5.33961 10.3972 12.3835 15.0657 7.78931 numMergedOcc 0
9 mol 98 unq 3 iso 0 dist 8.18252 6.0995 13.376 9.63267 17.6559 7.02507 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 9.15172 6.12348 13.6511 14.0364 18.281 8.80934 numMergedOcc 0
11 mol 154 unq 0 iso 0 dist 8.5081 5.06116 5.32843 5.5065 10.0704 8.33439 numMergedOcc 0
12 mol 155 unq 0 iso 0 dist 7.49276 7.25009 10.541 10.4606 15.7513 8.97626 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 8.52322 6.52441 11.5572 11.7795 18.6562 7.2793 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 5.83646 7.13727 4.48114 6.45589 7.64276 9.12776 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 5.83646 7.13727 4.48114 12.521 13.6759 9.72188 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.87224 7.63381 8.15025 9.86326 6.83046 6.73665 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 9.87224 7.63381 8.15025 5.82779 14.2656 9.34438 numMergedOcc 0
18 mol 239 unq 2 iso 0 dist 9.87224 7.63381 8.15025 13.5224 14.3531 9.35949 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 6.43775 9.13546 8.52745 11.5671 15.2039 9.19754 numMergedOcc 0
20 mol 264 unq 1 iso 0 dist 6.43775 9.13546 8.52745 13.8765 15.562 8.29262 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 8.34154 7.59142 7.51644 11.6042 12.0882 6.35028 numMergedOcc 0
22 mol 279 unq 1 iso 0 dist 9.07176 7.59142 3.75346 11.6042 9.65846 6.35028 numMergedOcc 0
23 mol 279 unq 2 iso 0 dist 5.90456 7.59142 5.03816 11.6042 8.68797 6.35028 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 9.86767 7.78796 7.61793 6.94727 15.3076 9.74118 numMergedOcc 0
