0 mol 9 unq 0 iso 0 dist 8.46229 7.84963 10.2545 9.93406 7.32257 9.77636 13.6879 8.50424 16.2228 7.35972 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.54519 8.6586 6.7846 12.1061 8.4051 7.85986 18.4559 12.176 12.2839 6.72323 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 8.4545 7.29864 11.3522 4.1125 5.9465 9.82998 5.62309 8.70803 3.79182 6.77241 numMergedOcc 0
3 mol 92 unq 1 iso 0 dist 8.4545 7.29864 11.3522 4.1125 5.9465 9.82998 7.11438 9.52327 9.74373 5.50508 numMergedOcc 0
4 mol 92 unq 2 iso 0 dist 8.4545 7.7399 12.2908 4.1125 5.9465 6.89071 5.62309 8.70803 8.93569 6.77241 numMergedOcc 0
5 mol 92 unq 3 iso 0 dist 8.4545 7.7399 12.2908 4.1125 5.9465 6.89071 7.11438 9.52327 3.98877 5.50508 numMergedOcc 0
6 mol 92 unq 4 iso 0 dist 7.01176 7.29864 10.0591 4.1125 6.97962 9.82998 5.62309 8.87994 3.79182 6.77241 numMergedOcc 0
7 mol 92 unq 5 iso 0 dist 7.01176 7.29864 10.0591 4.1125 6.97962 9.82998 7.11438 11.641 9.74373 5.50508 numMergedOcc 0
8 mol 92 unq 6 iso 0 dist 7.01176 7.7399 13.6054 4.1125 6.97962 6.89071 5.62309 8.87994 8.93569 6.77241 numMergedOcc 0
9 mol 92 unq 7 iso 0 dist 7.01176 7.7399 13.6054 4.1125 6.97962 6.89071 7.11438 11.641 3.98877 5.50508 numMergedOcc 0
10 mol 92 unq 8 iso 0 dist 7.5819 7.33353 10.3949 4.00923 7.52354 10.0287 13.887 14.3301 18.4518 9.91054 numMergedOcc 0
11 mol 92 unq 9 iso 0 dist 7.5819 8.55622 9.61344 4.00923 7.52354 11.445 13.887 14.3301 20.1145 9.91054 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.9747 9.68556 13.6536 7.43001 6.65501 16.876 10.9995 7.06961 20.0255 6.88901 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 8.89481 9.86767 13.0914 11.2266 8.8822 9.34113 14.3332 7.27193 14.7833 6.6317 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 6.38163 7.04904 10.3933 7.03404 6.28565 8.98175 12.672 10.7293 9.06432 9.73158 numMergedOcc 0
15 mol 129 unq 1 iso 0 dist 6.38163 7.04904 10.3933 7.03404 6.28565 8.98175 11.6466 7.29399 11.2951 7.59327 numMergedOcc 0
16 mol 129 unq 2 iso 0 dist 6.38163 5.06053 9.27274 7.03404 6.28565 9.41849 12.672 10.7293 10.8855 9.73158 numMergedOcc 0
17 mol 129 unq 3 iso 0 dist 6.38163 5.06053 9.27274 7.03404 6.28565 9.41849 11.6466 7.29399 12.0589 7.59327 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 6.07091 7.06555 10.0225 4.98945 9.61462 10.2367 8.81813 11.5561 15.2115 5.25109 numMergedOcc 0
19 mol 171 unq 1 iso 0 dist 6.07091 7.06555 10.0225 4.98945 9.61462 10.2367 10.1083 10.844 17.0029 8.21618 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 7.70279 9.67243 4.14873 6.36084 8.50102 11.6437 9.41148 6.2188 9.85068 9.78181 numMergedOcc 0
21 mol 232 unq 1 iso 0 dist 7.70279 9.67243 4.14873 6.36084 8.50102 11.6437 7.83422 12.3508 12.3471 9.8664 numMergedOcc 0
22 mol 232 unq 2 iso 0 dist 9.29752 9.67243 5.61663 6.36084 9.40808 11.6437 9.41148 12.5452 9.85068 9.78181 numMergedOcc 0
23 mol 232 unq 3 iso 0 dist 9.29752 9.67243 5.61663 6.36084 9.40808 11.6437 7.83422 8.80479 12.3471 9.8664 numMergedOcc 0
24 mol 244 unq 0 iso 0 dist 7.65388 5.16859 9.54706 4.38246 5.50492 6.10489 8.57917 7.6169 5.98501 7.95359 numMergedOcc 0
25 mol 244 unq 1 iso 0 dist 7.65388 5.16859 9.54706 4.38246 5.50492 6.10489 5.79898 5.17744 10.1665 6.22122 numMergedOcc 0
26 mol 244 unq 2 iso 0 dist 7.65388 4.79207 4.06591 4.38246 5.50492 4.4204 8.57917 7.6169 5.00596 7.95359 numMergedOcc 0
27 mol 244 unq 3 iso 0 dist 7.65388 4.79207 4.06591 4.38246 5.50492 4.4204 5.79898 5.17744 5.68434 6.22122 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 6.55855 9.82713 4.60007 6.70266 9.45514 13.9254 9.44134 6.52035 9.92055 7.75216 numMergedOcc 0
29 mol 274 unq 1 iso 0 dist 6.55855 9.82713 4.60007 5.15747 6.39866 8.09181 9.11072 6.16703 8.87313 6.88827 numMergedOcc 0
30 mol 274 unq 2 iso 0 dist 6.55855 9.82713 4.60007 5.15747 6.39866 8.09181 6.83113 5.64601 6.97575 9.16942 numMergedOcc 0
31 mol 274 unq 3 iso 0 dist 9.52894 9.82713 10.9558 6.70266 7.1729 13.9254 9.44134 5.71192 9.92055 7.75216 numMergedOcc 0
