0 mol 25 unq 0 iso 0 dist 6.34277 8.65185 7.0928 5.55893 5.04899 6.32132 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.40763 6.94361 7.0928 6.7276 5.04899 6.32132 numMergedOcc 0
2 mol 51 unq 0 iso 0 dist 5.67627 7.59524 7.7625 11.4974 9.0709 5.8664 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 8.52979 4.25393 7.47417 11.4352 9.80098 8.90624 numMergedOcc 0
4 mol 52 unq 1 iso 0 dist 8.52979 4.25393 7.47417 14.6092 7.34143 13.0115 numMergedOcc 0
5 mol 52 unq 2 iso 0 dist 8.52979 9.28685 7.68916 11.4352 9.80098 11.9986 numMergedOcc 0
6 mol 52 unq 3 iso 0 dist 8.52979 9.28685 7.68916 14.6092 7.34143 13.3091 numMergedOcc 0
7 mol 61 unq 0 iso 0 dist 8.46313 14.77 9.99643 9.46304 6.72123 8.2572 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 9.81252 10.6668 6.06543 5.61542 7.35754 5.51609 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 7.49404 5.1971 6.38977 7.91807 8.40312 6.82985 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.5778 5.11778 6.99089 10.2414 6.54501 10.1742 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 8.5778 5.11778 6.99089 13.5276 6.49416 12.6542 numMergedOcc 0
12 mol 182 unq 0 iso 0 dist 6.32172 9.96767 6.31492 11.6953 9.31746 7.48422 numMergedOcc 0
13 mol 182 unq 1 iso 0 dist 6.32172 10.2412 7.8621 11.6953 9.31746 6.98787 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 8.58465 9.03774 8.03567 10.9291 9.70748 8.18892 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 8.58465 9.03774 8.03567 6.37463 7.54065 8.339 numMergedOcc 0
16 mol 186 unq 2 iso 0 dist 8.58465 9.03774 8.03567 5.22923 8.87694 12.2966 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 9.65951 9.46843 7.92766 11.5989 7.10633 14.0488 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 9.65951 9.46843 7.92766 9.99471 8.51516 7.58285 numMergedOcc 0
19 mol 204 unq 2 iso 0 dist 9.14829 14.3686 7.92766 6.73339 7.10633 14.0488 numMergedOcc 0
20 mol 204 unq 3 iso 0 dist 9.14829 14.3686 7.92766 13.2127 8.51516 7.58285 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 9.33638 15.8062 6.83122 15.9383 9.65138 9.3424 numMergedOcc 0
22 mol 214 unq 1 iso 0 dist 9.33638 15.8062 6.83122 7.31241 7.14453 12.2622 numMergedOcc 0
23 mol 214 unq 2 iso 0 dist 9.33638 15.8062 6.83122 17.0758 8.85478 6.75833 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 9.94587 13.6648 9.82174 4.3284 6.57393 10.4397 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 9.09166 12.3198 9.2521 6.74773 6.22714 12.8083 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 9.09166 12.3198 9.2521 9.48707 7.31233 10.1821 numMergedOcc 0
27 mol 249 unq 0 iso 0 dist 9.14351 4.20982 6.42827 12.1004 7.57994 8.22485 numMergedOcc 0
28 mol 249 unq 1 iso 0 dist 9.14351 4.20982 6.42827 9.40115 6.18582 6.77698 numMergedOcc 0
29 mol 253 unq 0 iso 0 dist 9.75753 15.0104 5.76077 15.0268 9.02271 9.0081 numMergedOcc 0
30 mol 253 unq 1 iso 0 dist 9.75753 10.5007 7.0247 15.0268 9.02271 10.9027 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 9.80417 5.27451 7.22378 10.759 6.60405 6.8193 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 8.70852 16.8784 9.34738 5.07898 7.84554 13.8605 numMergedOcc 0
33 mol 259 unq 1 iso 0 dist 9.89728 16.8784 9.47382 5.07898 7.46176 13.8605 numMergedOcc 0
34 mol 279 unq 0 iso 0 dist 9.60619 17.3271 8.27977 9.96126 9.70696 13.1217 numMergedOcc 0
35 mol 292 unq 0 iso 0 dist 6.87804 5.50967 5.69465 11.634 8.2734 8.46956 numMergedOcc 0
36 mol 292 unq 1 iso 0 dist 6.07571 11.1934 5.69465 8.66797 8.2734 8.46956 numMergedOcc 0
