0 mol 41 unq 0 iso 0 dist 8.45063 6.51139 14.3405 5.31016 12.5752 7.22315 9.08934 4.68793 14.5447 11.6539 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 8.45063 6.91278 14.4796 5.31016 12.5752 4.65104 9.08934 4.68793 13.2774 11.6539 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 5.44077 9.76585 8.43173 9.38335 6.81966 14.1531 5.16403 9.05728 14.9221 10.1557 numMergedOcc 0
3 mol 103 unq 0 iso 0 dist 8.1375 8.75165 6.4251 9.13032 7.38666 3.96279 8.44658 7.55805 11.8191 13.7547 numMergedOcc 0
4 mol 133 unq 0 iso 0 dist 8.61448 5.84909 8.13581 7.31633 11.3682 5.10826 10.1805 8.96061 12.3814 16.4619 numMergedOcc 0
5 mol 163 unq 0 iso 0 dist 6.89529 9.24754 8.08989 9.62943 10.8796 3.7064 4.12904 6.56115 8.32426 9.07943 numMergedOcc 0
6 mol 175 unq 0 iso 0 dist 7.7013 8.57666 4.40729 7.42278 7.04147 10.4516 12.3666 6.73365 8.84385 12.1542 numMergedOcc 0
7 mol 175 unq 1 iso 0 dist 7.7013 8.57666 4.40729 7.42278 7.04147 10.4516 12.3067 9.45659 9.81041 14.966 numMergedOcc 0
8 mol 175 unq 2 iso 0 dist 7.7013 8.57666 4.40729 7.42278 7.04147 10.4516 7.28603 9.44856 9.91248 12.4656 numMergedOcc 0
9 mol 210 unq 0 iso 0 dist 5.33103 5.70065 9.12311 9.26092 12.0194 5.4402 3.84723 6.53736 6.13878 11.18 numMergedOcc 0
10 mol 210 unq 1 iso 0 dist 9.01301 5.70065 7.75472 9.26092 10.6951 5.4402 3.84723 8.18851 6.13878 11.18 numMergedOcc 0
11 mol 287 unq 0 iso 0 dist 7.47179 9.38187 10.1749 8.42076 12.5027 5.1517 11.3154 7.13655 15.4843 16.6094 numMergedOcc 0
12 mol 288 unq 0 iso 0 dist 7.47179 9.38187 10.1749 8.42076 12.5027 5.1517 11.3154 7.13655 15.4843 16.6094 numMergedOcc 0
13 mol 289 unq 0 iso 0 dist 7.47179 9.38187 10.1749 8.42076 12.5027 5.1517 11.3154 7.13655 15.4843 16.6094 numMergedOcc 0
