0 mol 11 unq 0 iso 0 dist 5.7435 4.24301 6.35398 11.4417 10.9183 7.98326 13.4066 10.7048 9.81983 6.76736 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.7435 4.24301 6.35398 8.23032 9.99434 7.90478 13.4066 10.7048 9.81983 13.5186 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.54519 12.1061 8.4051 18.4559 12.176 6.72323 8.6586 6.7846 7.85986 12.2839 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.54519 12.1061 8.4051 18.4559 12.176 6.72323 13.2236 8.03955 4.30252 6.22954 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 6.11056 11.095 8.60554 16.6031 14.012 6.72323 15.4692 13.2846 7.85986 12.2839 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 6.11056 11.095 8.60554 16.6031 14.012 6.72323 15.1745 12.3897 4.30252 6.22954 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.4545 4.1125 5.9465 5.62309 8.70803 6.77241 7.7399 12.2908 6.89071 8.93569 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 8.4545 4.1125 5.9465 7.11438 9.52327 5.50508 7.7399 12.2908 6.89071 3.98877 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 7.01176 4.1125 6.97962 5.62309 8.87994 6.77241 7.7399 13.6054 6.89071 8.93569 numMergedOcc 0
9 mol 92 unq 3 iso 0 dist 7.01176 4.1125 6.97962 7.11438 11.641 5.50508 7.7399 13.6054 6.89071 3.98877 numMergedOcc 0
10 mol 113 unq 0 iso 0 dist 8.89481 11.2266 8.8822 14.3332 7.27193 6.6317 14.8951 15.3211 7.40338 13.2601 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 6.38163 7.03404 6.28565 12.672 10.7293 9.73158 7.04904 10.3933 8.98175 9.06432 numMergedOcc 0
12 mol 129 unq 1 iso 0 dist 6.38163 7.03404 6.28565 11.6466 7.29399 7.59327 7.04904 10.3933 8.98175 11.2951 numMergedOcc 0
13 mol 196 unq 0 iso 0 dist 8.79558 11.4857 6.86319 17.9837 10.645 7.21349 17.4373 12.4987 6.14222 5.7225 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 7.70279 6.36084 8.50102 9.41148 6.2188 9.78181 11.6863 6.95968 9.78273 12.3206 numMergedOcc 0
15 mol 232 unq 1 iso 0 dist 7.70279 6.36084 8.50102 7.83422 12.3508 9.8664 11.6863 6.95968 9.78273 12.159 numMergedOcc 0
16 mol 232 unq 2 iso 0 dist 9.29752 6.36084 9.40808 9.41148 12.5452 9.78181 11.6863 4.04428 9.78273 12.3206 numMergedOcc 0
17 mol 232 unq 3 iso 0 dist 9.29752 6.36084 9.40808 7.83422 8.80479 9.8664 11.6863 4.04428 9.78273 12.159 numMergedOcc 0
18 mol 244 unq 0 iso 0 dist 7.65388 4.38246 5.50492 8.57917 7.6169 7.95359 13.0697 8.49798 9.30179 8.74744 numMergedOcc 0
19 mol 244 unq 1 iso 0 dist 7.65388 4.38246 5.50492 8.57917 7.6169 7.95359 5.16859 9.54706 6.10489 5.98501 numMergedOcc 0
20 mol 244 unq 2 iso 0 dist 7.65388 4.38246 5.50492 8.57917 7.6169 7.95359 4.79207 4.06591 4.4204 5.00596 numMergedOcc 0
21 mol 244 unq 3 iso 0 dist 7.65388 4.38246 5.50492 5.79898 5.17744 6.22122 13.0697 8.49798 9.30179 13.2473 numMergedOcc 0
22 mol 244 unq 4 iso 0 dist 7.65388 4.38246 5.50492 5.79898 5.17744 6.22122 5.16859 9.54706 6.10489 10.1665 numMergedOcc 0
23 mol 244 unq 5 iso 0 dist 7.65388 4.38246 5.50492 5.79898 5.17744 6.22122 4.79207 4.06591 4.4204 5.68434 numMergedOcc 0
24 mol 249 unq 0 iso 0 dist 6.37672 4.20164 5.48118 9.02777 9.0676 5.9627 12.1989 10.3504 8.76518 11.2713 numMergedOcc 0
25 mol 249 unq 1 iso 0 dist 8.94023 5.93404 5.48118 11.4503 9.0676 5.9627 11.121 10.3504 8.76518 11.2713 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 6.55855 5.15747 6.39866 9.11072 6.16703 6.88827 9.82713 4.60007 8.09181 8.87313 numMergedOcc 0
27 mol 274 unq 1 iso 0 dist 6.55855 5.15747 6.39866 6.83113 5.64601 9.16942 9.82713 4.60007 8.09181 6.97575 numMergedOcc 0
28 mol 274 unq 2 iso 0 dist 9.71801 4.36131 8.52587 9.02071 6.20558 6.88827 12.3011 12.5154 8.09181 8.87313 numMergedOcc 0
29 mol 274 unq 3 iso 0 dist 9.71801 4.36131 8.52587 11.74 16.3619 9.16942 12.3011 12.5154 8.09181 6.97575 numMergedOcc 0
