0 mol 11 unq 0 iso 0 dist 5.7435 4.24301 6.35398 13.4066 10.7048 9.81983 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.54519 12.1061 8.4051 8.6586 6.7846 7.85986 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 9.54519 12.1061 8.4051 13.2236 8.03955 4.30252 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.11056 11.095 8.60554 15.4692 13.2846 7.85986 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.11056 11.095 8.60554 15.1745 12.3897 4.30252 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 9.22002 12.7481 9.25641 17.9568 9.57611 9.83914 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 8.1599 7.46975 4.74544 6.35779 5.9487 8.21895 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 8.4545 4.1125 5.9465 7.7399 12.2908 6.89071 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 7.01176 4.1125 6.97962 7.7399 13.6054 6.89071 numMergedOcc 0
9 mol 101 unq 0 iso 0 dist 5.22543 5.08458 6.98314 6.67863 6.2696 9.44645 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.35636 9.74143 7.02927 7.39028 4.56372 5.54226 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 8.89481 11.2266 8.8822 14.8951 15.3211 7.40338 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 8.89481 9.01097 9.66219 9.86767 13.0914 5.35711 numMergedOcc 0
13 mol 113 unq 2 iso 0 dist 8.89481 9.01097 9.66219 14.8951 15.3211 6.23759 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 6.38163 7.03404 6.28565 7.04904 10.3933 8.98175 numMergedOcc 0
15 mol 196 unq 0 iso 0 dist 8.79558 11.4857 6.86319 17.4373 12.4987 6.14222 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 5.96555 3.99238 6.03688 8.86316 6.49049 5.59832 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 9.36079 10.9922 6.16414 11.8579 4.46135 7.9416 numMergedOcc 0
18 mol 206 unq 1 iso 0 dist 7.42904 8.16827 6.16414 10.9003 4.46135 7.9416 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 7.70279 6.36084 8.50102 11.6863 6.95968 9.78273 numMergedOcc 0
20 mol 232 unq 1 iso 0 dist 9.29752 6.36084 9.40808 11.6863 4.04428 9.78273 numMergedOcc 0
21 mol 241 unq 0 iso 0 dist 9.10633 4.85571 7.89524 8.49869 4.07839 8.73192 numMergedOcc 0
22 mol 244 unq 0 iso 0 dist 7.65388 4.38246 5.50492 13.0697 8.49798 9.30179 numMergedOcc 0
23 mol 244 unq 1 iso 0 dist 7.65388 4.38246 5.50492 5.16859 9.54706 6.10489 numMergedOcc 0
24 mol 244 unq 2 iso 0 dist 7.65388 4.38246 5.50492 4.79207 4.06591 4.4204 numMergedOcc 0
25 mol 249 unq 0 iso 0 dist 6.37672 4.20164 5.48118 12.1989 10.3504 8.76518 numMergedOcc 0
26 mol 249 unq 1 iso 0 dist 8.94023 5.93404 5.48118 11.121 10.3504 8.76518 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 9.59174 5.32742 9.63959 11.7178 4.83605 9.36974 numMergedOcc 0
28 mol 274 unq 0 iso 0 dist 6.55855 5.15747 6.39866 9.82713 4.60007 8.09181 numMergedOcc 0
29 mol 274 unq 1 iso 0 dist 9.71801 4.36131 8.52587 12.3011 12.5154 8.09181 numMergedOcc 0
30 mol 292 unq 0 iso 0 dist 9.20416 11.6878 7.07965 15.2035 7.22011 5.91617 numMergedOcc 0
31 mol 292 unq 1 iso 0 dist 7.53641 8.46139 7.07965 9.01115 7.22011 5.91617 numMergedOcc 0
