0 mol 7 unq 0 iso 0 dist 8.41173 7.38748 10.1841 12.9957 9.58865 15.1192 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.14952 9.02869 8.4061 15.4291 8.77648 9.28571 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 8.98466 6.6051 10.763 8.5421 7.96154 13.3275 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 9.79426 8.75001 12.053 9.27965 9.55978 15.5374 numMergedOcc 0
4 mol 21 unq 0 iso 0 dist 9.50179 8.6232 5.89271 8.82295 8.62855 12.5522 numMergedOcc 0
5 mol 30 unq 0 iso 0 dist 7.83595 8.204 10.5615 6.78528 9.72314 13.7912 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.27331 7.45777 4.68175 11.9439 6.99156 10.8175 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 9.27331 7.45777 4.68175 14.1204 7.21285 7.32265 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 7.02854 5.73235 5.22567 8.50377 7.71596 10.9974 numMergedOcc 0
9 mol 90 unq 0 iso 0 dist 6.6146 9.06641 5.12529 6.3566 8.6308 7.94379 numMergedOcc 0
10 mol 99 unq 0 iso 0 dist 6.81741 8.68674 4.74328 8.61334 8.23566 4.82346 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 7.85526 9.88178 6.01484 5.57607 7.94564 6.00896 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 5.33543 9.88178 10.6104 5.57607 9.21999 6.00896 numMergedOcc 0
13 mol 140 unq 0 iso 0 dist 8.05043 7.60956 4.8476 5.00766 9.74209 6.55217 numMergedOcc 0
14 mol 140 unq 1 iso 0 dist 8.05043 9.9171 8.53976 5.00766 9.74209 7.21686 numMergedOcc 0
15 mol 159 unq 0 iso 0 dist 7.60912 9.54337 6.50839 7.03515 9.37342 10.6617 numMergedOcc 0
16 mol 159 unq 1 iso 0 dist 7.60912 6.86212 8.83633 7.03515 9.37342 13.3917 numMergedOcc 0
17 mol 159 unq 2 iso 0 dist 7.60912 9.9368 13.4546 7.03515 9.37342 16.9296 numMergedOcc 0
18 mol 183 unq 0 iso 0 dist 7.69421 8.29364 6.39127 4.92164 9.82833 11.5589 numMergedOcc 0
19 mol 183 unq 1 iso 0 dist 7.69421 8.97652 9.01399 4.92164 9.82833 9.84649 numMergedOcc 0
20 mol 192 unq 0 iso 0 dist 7.30965 6.2016 5.21255 6.16078 7.72242 5.83093 numMergedOcc 0
21 mol 192 unq 1 iso 0 dist 7.30965 8.3453 5.1366 6.16078 7.72242 11.2722 numMergedOcc 0
22 mol 203 unq 0 iso 0 dist 7.9591 6.84619 4.9404 4.51654 8.8589 5.46529 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 7.86207 9.89039 9.09963 11.9931 8.58709 16.6963 numMergedOcc 0
24 mol 220 unq 1 iso 0 dist 7.86207 8.57174 14.3078 11.9931 8.58709 18.4836 numMergedOcc 0
25 mol 220 unq 2 iso 0 dist 7.57712 5.25149 10.1832 6.40358 4.3362 10.8891 numMergedOcc 0
26 mol 220 unq 3 iso 0 dist 7.57712 8.6368 13.4455 6.40358 4.3362 11.0474 numMergedOcc 0
27 mol 220 unq 4 iso 0 dist 7.20255 5.25149 9.96224 6.40358 5.51565 10.8891 numMergedOcc 0
28 mol 220 unq 5 iso 0 dist 7.20255 5.25149 9.96224 7.36665 9.74776 12.5698 numMergedOcc 0
29 mol 220 unq 6 iso 0 dist 7.20255 8.6368 8.70221 6.40358 5.51565 11.0474 numMergedOcc 0
30 mol 220 unq 7 iso 0 dist 7.20255 8.6368 8.70221 7.36665 9.74776 9.984 numMergedOcc 0
31 mol 220 unq 8 iso 0 dist 7.57716 6.50756 8.34243 7.52634 9.41713 12.052 numMergedOcc 0
32 mol 223 unq 0 iso 0 dist 9.29204 6.97426 4.73988 4.68566 9.86372 7.96628 numMergedOcc 0
33 mol 223 unq 1 iso 0 dist 9.29204 8.87456 8.36102 4.68566 9.86372 7.76053 numMergedOcc 0
34 mol 223 unq 2 iso 0 dist 9.14789 6.97426 4.78255 4.68566 7.70946 7.96628 numMergedOcc 0
35 mol 223 unq 3 iso 0 dist 9.14789 8.87456 5.43913 4.68566 7.70946 7.76053 numMergedOcc 0
36 mol 224 unq 0 iso 0 dist 7.47122 7.03925 4.49347 6.1168 7.46044 5.07376 numMergedOcc 0
37 mol 224 unq 1 iso 0 dist 9.37276 8.81063 4.19878 5.07348 8.62228 7.53412 numMergedOcc 0
38 mol 224 unq 2 iso 0 dist 7.58998 6.23677 6.88745 9.07072 6.36813 11.2656 numMergedOcc 0
39 mol 226 unq 0 iso 0 dist 7.20862 8.74399 12.3908 15.6116 9.05082 20.9562 numMergedOcc 0
40 mol 239 unq 0 iso 0 dist 6.00654 9.01071 12.178 10.1043 8.78008 18.9779 numMergedOcc 0
41 mol 239 unq 1 iso 0 dist 6.00654 8.86185 8.20191 10.1043 8.78008 7.80073 numMergedOcc 0
42 mol 239 unq 2 iso 0 dist 9.59937 7.58554 5.94643 8.46058 8.01565 7.10828 numMergedOcc 0
43 mol 249 unq 0 iso 0 dist 7.58833 3.67935 4.88298 6.13333 6.04688 5.70674 numMergedOcc 0
44 mol 249 unq 1 iso 0 dist 7.58833 8.00386 10.9665 6.13333 6.04688 10.464 numMergedOcc 0
45 mol 258 unq 0 iso 0 dist 6.08181 8.10903 10.8957 11.1086 9.26487 18.7825 numMergedOcc 0
46 mol 258 unq 1 iso 0 dist 6.08181 7.25618 11.0025 11.1086 9.26487 17.1978 numMergedOcc 0
47 mol 258 unq 2 iso 0 dist 7.70189 8.10903 5.27718 5.79358 6.59521 8.73425 numMergedOcc 0
48 mol 258 unq 3 iso 0 dist 7.70189 7.25618 9.46467 5.79358 6.59521 9.65711 numMergedOcc 0
49 mol 259 unq 0 iso 0 dist 8.91916 8.54422 6.40534 15.0643 9.2772 15.4339 numMergedOcc 0
50 mol 259 unq 1 iso 0 dist 8.91916 7.67473 9.57286 15.0643 9.2772 17.4248 numMergedOcc 0
51 mol 261 unq 0 iso 0 dist 6.41477 8.88741 10.1876 5.72823 9.56414 11.9931 numMergedOcc 0
52 mol 261 unq 1 iso 0 dist 6.41477 8.88741 10.1876 9.836 9.64886 18.0969 numMergedOcc 0
53 mol 274 unq 0 iso 0 dist 6.12202 9.34051 10.3702 5.64335 7.59956 14.7727 numMergedOcc 0
54 mol 274 unq 1 iso 0 dist 6.12202 9.34051 10.3702 13.0534 8.05503 17.417 numMergedOcc 0
55 mol 274 unq 2 iso 0 dist 6.12202 9.34051 10.3702 9.24343 5.59151 11.7974 numMergedOcc 0
56 mol 277 unq 0 iso 0 dist 6.23539 6.66936 5.95045 13.1 9.42812 13.9579 numMergedOcc 0
57 mol 279 unq 0 iso 0 dist 5.78017 8.03486 7.78018 4.77763 8.36655 11.6898 numMergedOcc 0
58 mol 279 unq 1 iso 0 dist 8.78203 8.03486 5.38411 12.3869 8.76889 13.774 numMergedOcc 0
59 mol 279 unq 2 iso 0 dist 8.78203 8.03486 5.38411 7.27825 7.04397 10.4088 numMergedOcc 0
