0 mol 12 unq 0 iso 0 dist 5.25583 5.77108 6.6051 8.27891 8.15864 10.1259 numMergedOcc 0
1 mol 12 unq 0 iso 1 dist 5.25583 8.27891 8.15864 5.77108 6.6051 10.1259 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.54999 6.81531 8.84944 10.5856 7.21995 12.0149 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.54999 10.5856 7.21995 6.81531 8.84944 12.0149 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 7.85826 7.26196 5.66803 7.27834 8.85416 12.1186 numMergedOcc 0
5 mol 64 unq 0 iso 1 dist 7.85826 7.27834 8.85416 7.26196 5.66803 12.1186 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 9.43192 9.5944 7.15248 6.26086 8.43162 5.55985 numMergedOcc 0
7 mol 67 unq 0 iso 1 dist 9.43192 6.26086 8.43162 9.5944 7.15248 5.55985 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 7.63813 8.65163 5.73235 11.1941 7.48127 10.0928 numMergedOcc 0
9 mol 76 unq 0 iso 1 dist 7.63813 11.1941 7.48127 8.65163 5.73235 10.0928 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 8.88177 6.01015 7.66418 5.87263 8.078 6.73664 numMergedOcc 0
11 mol 103 unq 0 iso 1 dist 8.88177 5.87263 8.078 6.01015 7.66418 6.73664 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.61918 13.2228 5.79195 15.392 9.2759 12.1681 numMergedOcc 0
13 mol 133 unq 0 iso 1 dist 8.61918 15.392 9.2759 13.2228 5.79195 12.1681 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 8.61918 13.2228 5.79195 15.6785 8.76088 9.34083 numMergedOcc 0
15 mol 133 unq 1 iso 1 dist 8.61918 15.6785 8.76088 13.2228 5.79195 9.34083 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 8.61918 15.392 9.2759 15.6785 8.76088 11.2107 numMergedOcc 0
17 mol 133 unq 1 iso 1 dist 8.61918 15.6785 8.76088 15.392 9.2759 11.2107 numMergedOcc 0
18 mol 137 unq 0 iso 0 dist 9.85023 7.49653 8.77618 11.3759 9.1425 4.14905 numMergedOcc 0
19 mol 137 unq 0 iso 1 dist 9.85023 11.3759 9.1425 7.49653 8.77618 4.14905 numMergedOcc 0
20 mol 140 unq 0 iso 0 dist 9.16949 11.7651 9.13339 5.14081 7.60956 8.73614 numMergedOcc 0
21 mol 140 unq 0 iso 1 dist 9.16949 5.14081 7.60956 11.7651 9.13339 8.73614 numMergedOcc 0
22 mol 189 unq 0 iso 0 dist 9.46859 6.34597 9.47321 4.50095 6.38294 8.74557 numMergedOcc 0
23 mol 189 unq 0 iso 1 dist 9.46859 4.50095 6.38294 6.34597 9.47321 8.74557 numMergedOcc 0
24 mol 212 unq 0 iso 0 dist 9.50443 11.5092 7.6819 13.9428 6.36102 5.4231 numMergedOcc 0
25 mol 212 unq 0 iso 1 dist 9.50443 13.9428 6.36102 11.5092 7.6819 5.4231 numMergedOcc 0
26 mol 236 unq 0 iso 0 dist 7.61854 11.7831 8.63249 8.73194 7.74348 15.386 numMergedOcc 0
27 mol 236 unq 0 iso 1 dist 7.61854 8.73194 7.74348 11.7831 8.63249 15.386 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 6.77267 4.20175 8.26312 4.43495 7.58554 7.99748 numMergedOcc 0
29 mol 239 unq 0 iso 1 dist 6.77267 4.43495 7.58554 4.20175 8.26312 7.99748 numMergedOcc 0
30 mol 243 unq 0 iso 0 dist 8.82741 7.50159 4.64178 14.8655 9.16988 10.9243 numMergedOcc 0
31 mol 243 unq 0 iso 1 dist 8.82741 14.8655 9.16988 7.50159 4.64178 10.9243 numMergedOcc 0
32 mol 243 unq 1 iso 0 dist 4.88105 4.7112 4.64178 9.56957 9.16988 10.9243 numMergedOcc 0
33 mol 243 unq 1 iso 1 dist 4.88105 9.56957 9.16988 4.7112 4.64178 10.9243 numMergedOcc 0
34 mol 243 unq 2 iso 0 dist 9.44057 8.85604 4.64178 6.36228 9.16988 10.9243 numMergedOcc 0
35 mol 243 unq 2 iso 1 dist 9.44057 6.36228 9.16988 8.85604 4.64178 10.9243 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 6.77021 9.76099 7.53199 5.83092 8.58092 8.76629 numMergedOcc 0
37 mol 258 unq 0 iso 1 dist 6.77021 5.83092 8.58092 9.76099 7.53199 8.76629 numMergedOcc 0
38 mol 258 unq 1 iso 0 dist 6.77021 9.76099 7.53199 5.09024 7.40014 5.62532 numMergedOcc 0
39 mol 258 unq 1 iso 1 dist 6.77021 5.09024 7.40014 9.76099 7.53199 5.62532 numMergedOcc 0
40 mol 258 unq 1 iso 0 dist 6.77021 5.83092 8.58092 5.09024 7.40014 5.64447 numMergedOcc 0
41 mol 258 unq 1 iso 1 dist 6.77021 5.09024 7.40014 5.83092 8.58092 5.64447 numMergedOcc 0
42 mol 258 unq 2 iso 0 dist 5.86702 4.18036 8.70193 4.69752 7.25618 7.64421 numMergedOcc 0
43 mol 258 unq 2 iso 1 dist 5.86702 4.69752 7.25618 4.18036 8.70193 7.64421 numMergedOcc 0
44 mol 280 unq 0 iso 0 dist 8.54653 7.48605 8.83076 6.25509 9.76967 11.8293 numMergedOcc 0
45 mol 280 unq 0 iso 1 dist 8.54653 6.25509 9.76967 7.48605 8.83076 11.8293 numMergedOcc 0
46 mol 280 unq 1 iso 0 dist 8.71581 9.78493 8.83076 7.74111 9.76967 11.8293 numMergedOcc 0
47 mol 280 unq 1 iso 1 dist 8.71581 7.74111 9.76967 9.78493 8.83076 11.8293 numMergedOcc 0
48 mol 280 unq 2 iso 0 dist 9.79817 9.73214 8.83076 13.8226 9.76967 11.8293 numMergedOcc 0
49 mol 280 unq 2 iso 1 dist 9.79817 13.8226 9.76967 9.73214 8.83076 11.8293 numMergedOcc 0
50 mol 294 unq 0 iso 0 dist 5.25409 4.06072 6.37998 5.29391 9.77023 8.23817 numMergedOcc 0
51 mol 294 unq 0 iso 1 dist 5.25409 5.29391 9.77023 4.06072 6.37998 8.23817 numMergedOcc 0
