0 mol 5 unq 0 iso 0 dist 8.34146 4.47188 7.44029 12.0333 11.6519 7.74636 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 7.87072 7.16107 9.97769 6.19695 4.47278 5.7147 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 7.19406 6.51519 7.57749 7.12713 9.83606 5.4713 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 7.55854 4.27513 5.41774 9.29102 3.60325 8.29196 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 5.48669 4.78298 5.41774 8.30446 3.60325 8.29196 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 5.78051 5.26955 5.41774 9.35749 3.60325 8.29196 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 6.49446 5.06459 7.30651 6.0827 6.13411 8.93807 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 9.0101 4.05111 6.63973 8.26805 9.68005 5.45099 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 9.0101 4.05111 6.63973 9.68577 14.6547 8.44765 numMergedOcc 0
9 mol 76 unq 2 iso 0 dist 9.0101 4.05111 6.63973 11.3425 14.1202 9.06643 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 7.18358 6.06978 7.58743 6.29801 5.73969 9.21761 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 6.31509 5.43272 7.34638 10.4432 13.4072 7.14813 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 6.14782 5.43272 6.0995 10.4432 13.2035 7.14813 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 6.28645 8.50179 6.12348 9.12485 3.77247 4.30875 numMergedOcc 0
14 mol 113 unq 1 iso 0 dist 6.28645 8.50179 6.12348 17.1476 13.3539 8.65807 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 8.08733 4.85157 5.90003 6.66313 3.80816 4.55071 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 4.90449 5.74561 5.90003 6.3646 3.80816 4.55071 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 6.4822 6.98797 5.56446 11.794 7.06015 5.95801 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 6.4822 6.98797 5.56446 10.3969 6 9.92715 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 6.57161 8.66931 6.27683 9.31939 3.89732 4.11374 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 6.57161 8.66931 6.27683 17.0421 13.2558 8.37602 numMergedOcc 0
21 mol 171 unq 0 iso 0 dist 7.7195 4.91613 6.51523 6.80203 11.244 9.68512 numMergedOcc 0
22 mol 171 unq 1 iso 0 dist 8.30819 4.61696 6.51523 8.00826 11.244 9.68512 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 5.39622 8.53889 6.52441 16.4411 12.7948 9.34653 numMergedOcc 0
24 mol 192 unq 0 iso 0 dist 7.83389 12.5518 7.93715 16.6739 9.20742 8.23162 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 5.03174 4.66338 7.19658 8.26228 5.51231 9.87744 numMergedOcc 0
26 mol 264 unq 1 iso 0 dist 7.22743 10.3972 7.19658 9.62712 5.51231 9.87744 numMergedOcc 0
27 mol 279 unq 0 iso 0 dist 8.40448 11.9684 8.41945 15.8151 9.78358 4.98693 numMergedOcc 0
