0 mol 11 unq 0 iso 0 dist 5.40468 7.16699 6.83186 6.35021 3.56133 4.79838 11.6776 6.51674 9.81983 7.5901 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.73053 8.52974 9.48125 6.75771 3.8237 7.69101 10.3173 9.92713 9.95093 6.45654 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.73053 8.52974 9.48125 11.4317 4.97937 9.57665 10.3173 9.92713 9.95093 7.35043 numMergedOcc 0
3 mol 34 unq 2 iso 0 dist 7.07087 5.27925 9.48125 5.90246 3.8237 7.69101 10.5841 9.92713 9.95093 6.45654 numMergedOcc 0
4 mol 34 unq 3 iso 0 dist 7.07087 5.27925 9.48125 9.69279 4.97937 9.57665 10.5841 9.92713 9.95093 7.35043 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 9.55284 8.48678 6.5241 15.2056 12.3016 7.16443 8.50475 3.50984 7.11491 12.9941 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 7.33788 3.85292 4.22002 10.5396 7.78417 7.16443 7.66163 5.39812 7.11491 12.9941 numMergedOcc 0
7 mol 48 unq 2 iso 0 dist 9.74351 3.85292 8.10774 10.5396 12.2824 7.16443 7.66163 3.59761 7.11491 12.9941 numMergedOcc 0
8 mol 48 unq 3 iso 0 dist 7.36877 3.85292 6.5241 10.5396 12.3016 7.16443 7.66163 3.50984 7.11491 12.9941 numMergedOcc 0
9 mol 48 unq 4 iso 0 dist 8.52681 6.44604 4.22002 10.9142 7.78417 7.16443 9.48288 5.39812 7.11491 12.9941 numMergedOcc 0
10 mol 48 unq 5 iso 0 dist 9.98769 6.44604 8.10774 10.9142 12.2824 7.16443 9.48288 3.59761 7.11491 12.9941 numMergedOcc 0
11 mol 48 unq 6 iso 0 dist 9.21776 3.72746 8.14245 10.4168 12.2601 7.08628 7.1796 3.60121 7.1829 13.0328 numMergedOcc 0
12 mol 48 unq 7 iso 0 dist 6.89752 3.72746 6.36817 10.4168 12.2529 7.08628 7.1796 3.65036 7.1829 13.0328 numMergedOcc 0
13 mol 48 unq 8 iso 0 dist 6.85843 3.72746 4.17933 10.4168 7.83821 7.08628 7.1796 5.37655 7.1829 13.0328 numMergedOcc 0
14 mol 48 unq 9 iso 0 dist 9.40291 6.4561 8.14245 10.3969 12.2601 7.08628 9.16212 3.60121 7.1829 13.0328 numMergedOcc 0
15 mol 48 unq 10 iso 0 dist 7.94814 6.4561 4.17933 10.3969 7.83821 7.08628 9.16212 5.37655 7.1829 13.0328 numMergedOcc 0
16 mol 48 unq 11 iso 0 dist 9.55632 6.4561 5.54893 10.3969 5.51708 7.08628 9.16212 8.48119 7.1829 13.0328 numMergedOcc 0
17 mol 79 unq 0 iso 0 dist 6.64921 4.15002 4.15789 10.0611 4.35906 7.90338 5.72627 4.37918 6.2576 5.97134 numMergedOcc 0
18 mol 79 unq 1 iso 0 dist 6.64921 4.15002 4.15789 10.0611 4.35906 7.90338 7.68741 9.08423 8.96069 9.00783 numMergedOcc 0
19 mol 79 unq 2 iso 0 dist 6.64921 4.15002 4.15789 10.0611 4.35906 7.90338 9.76351 6.29733 7.56495 4.52595 numMergedOcc 0
20 mol 79 unq 3 iso 0 dist 6.64921 9.36535 4.808 10.0611 4.35906 7.08462 12.6483 6.0298 5.79139 4.94373 numMergedOcc 0
21 mol 79 unq 4 iso 0 dist 6.64921 9.36535 4.808 10.0611 4.35906 7.08462 9.76351 6.29733 7.63923 4.52595 numMergedOcc 0
22 mol 101 unq 0 iso 0 dist 8.2549 6.43467 8.19144 14.5188 11.7377 8.35515 14.3413 13.0976 9.44645 7.83985 numMergedOcc 0
23 mol 141 unq 0 iso 0 dist 5.28634 6.1672 4.88514 6.27859 9.08526 6.50336 13.1958 13.8739 9.59109 7.64948 numMergedOcc 0
24 mol 193 unq 0 iso 0 dist 9.73679 4.8988 8.30069 9.53066 6.11405 6.17074 9.16058 11.1328 9.9042 8.68853 numMergedOcc 0
25 mol 193 unq 1 iso 0 dist 9.73679 4.8988 8.30069 9.53066 6.11405 6.17074 9.39453 11.4882 6.21262 5.97706 numMergedOcc 0
26 mol 254 unq 0 iso 0 dist 9.83135 12.319 9.20109 13.9815 6.19835 6.12653 18.4688 11.9238 9.50951 6.6011 numMergedOcc 0
27 mol 254 unq 1 iso 0 dist 7.40957 9.72134 9.20109 10.1882 5.67608 6.59989 17.7044 13.4911 9.31434 8.57314 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 5.55176 5.13698 4.68668 10.3062 8.99193 5.50067 12.6821 9.88575 8.58427 5.13166 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 5.55176 5.13698 4.68668 10.3062 8.99193 5.50067 12.6821 9.88575 8.58427 5.13166 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 5.55176 5.13698 4.68668 10.3062 8.99193 5.50067 12.6821 9.88575 8.58427 5.13166 numMergedOcc 0
