0 mol 43 unq 0 iso 0 dist 8.54999 9.61711 7.79998 6.81531 8.84944 11.6604 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.54999 9.61711 7.79998 10.5856 7.21995 14.1544 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.93939 6.04163 4.60412 16.0604 8.90896 12.8368 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 9.28357 8.51543 4.80624 9.04086 8.7142 12.1691 numMergedOcc 0
4 mol 96 unq 0 iso 0 dist 9.25941 6.19867 13.3443 6.04753 8.9056 11.2931 numMergedOcc 0
5 mol 116 unq 0 iso 0 dist 5.58346 7.55822 7.08076 8.38134 6.53824 13.3159 numMergedOcc 0
6 mol 116 unq 1 iso 0 dist 7.09179 7.55822 10.0812 8.38134 6.61973 13.3159 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 8.61918 6.53153 6.55423 13.2228 5.79195 12.3165 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 8.61918 6.53153 6.55423 15.392 9.2759 10.1412 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 8.61918 6.53153 6.55423 15.6785 8.76088 11.5517 numMergedOcc 0
10 mol 133 unq 3 iso 0 dist 8.61918 6.29975 10.2681 13.2228 5.79195 15.4604 numMergedOcc 0
11 mol 133 unq 4 iso 0 dist 8.61918 6.29975 10.2681 15.392 9.2759 12.9713 numMergedOcc 0
12 mol 133 unq 5 iso 0 dist 8.61918 6.29975 10.2681 15.6785 8.76088 17.6258 numMergedOcc 0
13 mol 133 unq 6 iso 0 dist 8.61918 8.29673 13.1011 13.2228 5.79195 18.7909 numMergedOcc 0
14 mol 133 unq 7 iso 0 dist 8.61918 8.29673 13.1011 15.392 9.2759 15.6697 numMergedOcc 0
15 mol 133 unq 8 iso 0 dist 8.61918 8.29673 13.1011 15.6785 8.76088 17.3673 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 6.25968 8.75736 12.0992 10.9848 9.88178 13.6135 numMergedOcc 0
17 mol 134 unq 1 iso 0 dist 6.25968 6.32178 4.8408 10.9848 9.88178 9.56984 numMergedOcc 0
18 mol 140 unq 0 iso 0 dist 9.16949 6.40792 9.7827 11.7651 9.13339 13.2491 numMergedOcc 0
19 mol 140 unq 1 iso 0 dist 9.16949 6.40792 9.7827 5.14081 7.60956 10.3007 numMergedOcc 0
20 mol 140 unq 2 iso 0 dist 8.65294 6.40792 5.80354 5.14081 9.9171 10.3007 numMergedOcc 0
21 mol 147 unq 0 iso 0 dist 9.89646 9.23551 10.2089 12.352 5.32865 13.3329 numMergedOcc 0
22 mol 174 unq 0 iso 0 dist 8.36618 6.90813 4.69892 9.60153 8.16228 7.03029 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 7.90753 8.80581 5.32364 7.11843 9.40718 9.63295 numMergedOcc 0
24 mol 183 unq 0 iso 0 dist 6.23903 9.09322 8.16006 7.14992 8.97652 15.1 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 7.61854 5.99137 7.45579 11.7831 8.63249 6.36941 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 7.61854 5.99137 7.45579 8.73194 7.74348 12.2331 numMergedOcc 0
27 mol 240 unq 0 iso 0 dist 8.24704 7.0935 5.36005 7.11628 7.19218 6.83069 numMergedOcc 0
28 mol 240 unq 1 iso 0 dist 8.24704 7.12912 4.4564 7.11628 7.19218 9.30995 numMergedOcc 0
29 mol 241 unq 0 iso 0 dist 5.42605 8.18588 7.3737 6.5604 7.26758 6.40592 numMergedOcc 0
30 mol 243 unq 0 iso 0 dist 8.82741 8.69557 14.0902 7.50159 4.64178 14.8236 numMergedOcc 0
31 mol 243 unq 1 iso 0 dist 8.82741 8.69557 14.0902 14.8655 9.16988 20.9645 numMergedOcc 0
32 mol 243 unq 2 iso 0 dist 8.82741 9.39147 7.07529 7.50159 4.64178 10.6524 numMergedOcc 0
33 mol 243 unq 3 iso 0 dist 8.82741 9.39147 7.07529 14.8655 9.16988 12.2736 numMergedOcc 0
34 mol 243 unq 4 iso 0 dist 4.88105 7.70059 7.07529 4.7112 4.64178 10.6524 numMergedOcc 0
35 mol 243 unq 5 iso 0 dist 4.88105 7.70059 7.07529 9.56957 9.16988 12.2736 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 7.87577 5.31858 5.90131 4.69752 8.10903 8.81059 numMergedOcc 0
37 mol 258 unq 1 iso 0 dist 7.87577 5.71851 9.68064 4.69752 8.10903 9.12006 numMergedOcc 0
38 mol 258 unq 2 iso 0 dist 5.86702 5.31858 4.51422 4.18036 8.70193 7.9357 numMergedOcc 0
39 mol 258 unq 3 iso 0 dist 5.86702 5.31858 4.51422 4.69752 7.25618 8.81059 numMergedOcc 0
40 mol 258 unq 4 iso 0 dist 5.86702 5.71851 4.99997 4.18036 8.70193 5.79537 numMergedOcc 0
41 mol 258 unq 5 iso 0 dist 5.86702 5.71851 4.99997 4.69752 7.25618 9.12006 numMergedOcc 0
42 mol 265 unq 0 iso 0 dist 6.64109 5.89409 6.86214 10.9011 7.52632 10.2586 numMergedOcc 0
43 mol 265 unq 1 iso 0 dist 8.57593 7.45719 6.86214 10.0903 7.52632 10.2586 numMergedOcc 0
44 mol 279 unq 0 iso 0 dist 9.87771 7.63115 8.00087 15.2194 7.83793 10.8434 numMergedOcc 0
45 mol 280 unq 0 iso 0 dist 8.71581 7.1704 11.4271 9.78493 8.83076 14.3817 numMergedOcc 0
46 mol 280 unq 1 iso 0 dist 8.71581 7.1704 11.4271 7.74111 9.76967 14.1457 numMergedOcc 0
47 mol 280 unq 2 iso 0 dist 8.71581 9.63837 10.1569 9.78493 8.83076 17.1192 numMergedOcc 0
48 mol 280 unq 3 iso 0 dist 8.71581 9.63837 10.1569 7.74111 9.76967 10.9916 numMergedOcc 0
49 mol 280 unq 4 iso 0 dist 9.79817 5.59626 11.4271 9.73214 8.83076 14.3817 numMergedOcc 0
50 mol 280 unq 5 iso 0 dist 9.79817 5.59626 11.4271 13.8226 9.76967 14.1457 numMergedOcc 0
51 mol 281 unq 0 iso 0 dist 7.90993 7.04661 7.85489 11.8486 6.58925 13.8542 numMergedOcc 0
52 mol 292 unq 0 iso 0 dist 6.51561 8.44108 4.92497 5.44638 5.83342 10.2838 numMergedOcc 0
