0 mol 15 unq 0 iso 0 dist 7.87072 6.19695 4.47278 7.16107 9.97769 5.7147 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 7.19406 7.12713 9.83606 6.51519 7.57749 5.4713 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.55854 9.29102 3.60325 4.27513 5.41774 8.29196 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 5.48669 8.30446 3.60325 4.78298 5.41774 8.29196 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 6.49446 6.0827 6.13411 5.06459 7.30651 8.93807 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.0101 8.26805 9.68005 4.05111 6.63973 5.45099 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 9.0101 9.68577 14.6547 4.05111 6.63973 8.44765 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 7.18358 6.29801 5.73969 6.06978 7.58743 9.21761 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 4.3761 5.61418 9.39313 4.54306 5.33961 8.77044 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 6.31509 5.91023 4.48773 12.8104 8.3505 11.36 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 6.31509 5.91023 4.48773 5.43272 7.34638 8.7081 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 6.14782 5.91023 3.8493 5.43272 6.0995 8.7081 numMergedOcc 0
12 mol 98 unq 4 iso 0 dist 6.14782 5.91023 3.8493 6.71295 9.25525 8.91052 numMergedOcc 0
13 mol 98 unq 5 iso 0 dist 5.84583 5.61418 6.66668 4.54306 5.08983 8.77044 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 6.28645 9.00481 7.1034 8.50179 6.12348 9.06319 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 8.08733 6.66313 3.80816 4.85157 5.90003 4.55071 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 4.90449 6.3646 3.80816 5.74561 5.90003 4.55071 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 9.87066 9.77654 5.57327 10.2997 9.10434 13.4328 numMergedOcc 0
18 mol 168 unq 0 iso 0 dist 9.03681 8.47439 10.3454 5.5458 8.53936 11.9693 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 6.57161 9.3206 7.16323 8.66931 6.27683 9.23839 numMergedOcc 0
20 mol 171 unq 0 iso 0 dist 7.7195 6.80203 11.244 4.91613 6.51523 9.68512 numMergedOcc 0
21 mol 171 unq 1 iso 0 dist 8.30819 8.00826 11.244 4.61696 6.51523 9.68512 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 7.11262 7.22151 6.59432 8.62768 9.27308 11.2467 numMergedOcc 0
23 mol 225 unq 1 iso 0 dist 7.11262 7.22151 6.59432 4.57447 7.25438 10.6109 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 5.03174 8.26228 5.51231 4.66338 7.19658 9.87744 numMergedOcc 0
25 mol 292 unq 0 iso 0 dist 6.84909 7.61675 8.93255 4.77692 5.72473 11.2704 numMergedOcc 0
