0 mol 4 unq 0 iso 0 dist 6.12485 6.66589 6.56189 5.52224 8.81559 11.7921 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 6.86951 9.80478 6.56189 5.1661 8.81559 11.7921 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.02869 5.83658 5.37308 17.2554 8.50044 12.4629 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 9.02869 5.83658 5.37308 4.91115 7.11539 6.02702 numMergedOcc 0
4 mol 12 unq 0 iso 0 dist 6.6051 8.17618 6.67154 7.81704 6.6691 11.7116 numMergedOcc 0
5 mol 12 unq 1 iso 0 dist 6.6051 8.17618 6.67154 11.1322 9.23807 15.2943 numMergedOcc 0
6 mol 12 unq 2 iso 0 dist 6.6051 8.17618 6.67154 13.5603 9.52857 14.3542 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 9.53081 5.36645 12.299 10.7098 8.82709 15.4171 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 5.06188 8.89758 4.6365 11.0408 9.16212 12.2772 numMergedOcc 0
9 mol 124 unq 0 iso 0 dist 7.18976 7.23052 5.1738 10.1583 9.5436 9.79969 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 5.40826 7.5984 9.02772 5.56677 9.58037 12.7838 numMergedOcc 0
11 mol 174 unq 0 iso 0 dist 8.16228 7.03029 4.69892 6.97204 8.39178 8.87569 numMergedOcc 0
12 mol 174 unq 1 iso 0 dist 8.16228 7.03029 4.69892 9.84841 7.54918 9.87122 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 9.40718 9.63295 5.32364 14.1039 9.2933 5.9176 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 9.40718 9.63295 5.32364 5.39949 8.77781 6.41453 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 6.72718 6.99623 5.25279 14.2953 8.91143 12.8189 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 7.82201 9.40003 17.1162 11.045 5.82124 19.5041 numMergedOcc 0
17 mol 214 unq 1 iso 0 dist 5.86911 9.4835 13.1789 5.74127 5.82124 12.9775 numMergedOcc 0
18 mol 214 unq 2 iso 0 dist 7.89258 9.4835 10.1543 5.74127 8.31236 12.9775 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 6.39087 7.30244 12.2765 5.45485 5.75839 11.1525 numMergedOcc 0
20 mol 220 unq 1 iso 0 dist 6.39087 7.29796 13.2427 5.45485 5.75839 12.3455 numMergedOcc 0
21 mol 220 unq 2 iso 0 dist 9.86144 9.58343 12.2765 4.69132 5.75839 11.1525 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 8.63249 9.97357 13.6195 11.7955 5.91739 17.3964 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 8.63249 6.36941 7.45579 11.7955 5.91739 12.6259 numMergedOcc 0
24 mol 236 unq 2 iso 0 dist 7.74348 9.96011 13.0929 8.52618 5.91739 14.8894 numMergedOcc 0
25 mol 250 unq 0 iso 0 dist 8.69437 5.32724 5.58623 10.3257 8.51444 11.2347 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 8.57274 8.55181 5.80854 12.3617 7.87648 12.8688 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 5.78262 6.54753 4.77695 7.10817 9.16554 8.83865 numMergedOcc 0
28 mol 273 unq 1 iso 0 dist 5.78262 6.54753 4.77695 4.30863 8.83491 10.7715 numMergedOcc 0
29 mol 273 unq 2 iso 0 dist 7.6489 6.54753 9.01117 4.30863 9.02711 10.7715 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 8.15119 9.84188 10.2486 12.7485 9.35976 18.8597 numMergedOcc 0
31 mol 277 unq 1 iso 0 dist 8.15119 8.35794 7.94155 12.7485 9.35976 16.795 numMergedOcc 0
