0 mol 30 unq 0 iso 0 dist 8.12541 9.28146 3.76356 5.31555 6.12735 8.91529 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 8.04019 7.82815 3.85975 10.264 10.1561 7.73662 numMergedOcc 0
2 mol 33 unq 1 iso 0 dist 8.04019 7.82815 3.85975 12.0101 10.3842 9.68007 numMergedOcc 0
3 mol 33 unq 2 iso 0 dist 7.44828 7.82815 13.4442 10.264 14.8069 7.73662 numMergedOcc 0
4 mol 33 unq 3 iso 0 dist 7.44828 7.82815 13.4442 12.0101 17.9565 9.68007 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 5.06188 7.78899 4.55422 6.47086 8.5859 7.95815 numMergedOcc 0
6 mol 51 unq 0 iso 0 dist 8.84151 7.73836 5.2887 4.14139 11.2388 8.04026 numMergedOcc 0
7 mol 66 unq 0 iso 0 dist 8.68658 7.3084 3.7783 7.88141 11.7241 9.00438 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 5.73235 6.14248 6.1999 13.4778 13.4333 9.3711 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 7.48127 6.97936 6.1999 15.1961 13.4333 9.3711 numMergedOcc 0
10 mol 87 unq 0 iso 0 dist 6.22441 6.21094 6.42891 4.40643 9.42123 7.51011 numMergedOcc 0
11 mol 87 unq 1 iso 0 dist 6.22441 8.44482 10.8407 4.40643 9.42123 8.74603 numMergedOcc 0
12 mol 87 unq 2 iso 0 dist 5.91543 6.21094 4.13495 4.40643 9.18848 7.51011 numMergedOcc 0
13 mol 87 unq 3 iso 0 dist 5.91543 8.44482 6.37184 4.40643 9.18848 8.74603 numMergedOcc 0
14 mol 139 unq 0 iso 0 dist 9.70154 6.79625 3.82037 10.5769 8.66615 9.07404 numMergedOcc 0
15 mol 139 unq 1 iso 0 dist 8.78382 7.20542 3.82037 6.5333 8.66615 9.07404 numMergedOcc 0
16 mol 192 unq 0 iso 0 dist 7.36571 5.77035 6.62595 7.66978 14.2876 9.19818 numMergedOcc 0
17 mol 192 unq 1 iso 0 dist 9.80122 5.77035 9.6618 7.66978 11.7638 9.19818 numMergedOcc 0
18 mol 192 unq 2 iso 0 dist 9.17137 5.77035 12.1003 7.66978 15.2627 9.19818 numMergedOcc 0
19 mol 195 unq 0 iso 0 dist 5.61326 7.75518 4.3166 6.15002 6.77515 5.08438 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 4.81837 5.63283 4.7106 6.89035 5.8325 8.71347 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 6.43519 5.63283 10.4922 6.89035 12.7548 8.71347 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 5.86911 8.89981 12.9344 11.4982 16.0893 5.79617 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 7.89258 8.89981 12.8738 11.4982 17.5587 5.79617 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 7.03925 8.57781 4.67513 8.09748 11.2243 8.83742 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 4.71683 9.67162 10.7395 10.1358 13.6596 6.92437 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 7.58554 7.98794 7.26668 10.6145 11.2673 5.68578 numMergedOcc 0
27 mol 239 unq 1 iso 0 dist 7.58554 7.98794 7.26668 8.52005 13.0427 9.50933 numMergedOcc 0
28 mol 273 unq 0 iso 0 dist 5.78262 6.95569 12.7125 4.62586 9.57582 5.63226 numMergedOcc 0
29 mol 273 unq 1 iso 0 dist 7.6489 6.95569 10.8576 4.62586 11.4985 5.63226 numMergedOcc 0
30 mol 283 unq 0 iso 0 dist 9.243 9.83098 13.1215 7.77415 12.9824 4.86946 numMergedOcc 0
31 mol 286 unq 0 iso 0 dist 6.83763 6.64391 3.67621 5.69037 8.98417 8.09566 numMergedOcc 0
32 mol 286 unq 1 iso 0 dist 6.83763 6.64391 3.67621 6.54635 8.60873 5.6343 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 6.96774 7.19568 3.85958 4.38561 8.05825 9.5356 numMergedOcc 0
34 mol 287 unq 1 iso 0 dist 7.14859 7.19568 5.93557 4.38561 11.0609 9.5356 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 6.96774 7.19568 3.85958 4.38561 8.05825 9.5356 numMergedOcc 0
36 mol 288 unq 1 iso 0 dist 7.14859 7.19568 5.93557 4.38561 11.0609 9.5356 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 6.96774 7.19568 3.85958 4.38561 8.05825 9.5356 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 7.14859 7.19568 5.93557 4.38561 11.0609 9.5356 numMergedOcc 0
