0 mol 9 unq 0 iso 0 dist 8.77049 11.3797 6.33889 6.67398 7.2199 5.60154 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.77049 11.3797 6.33889 10.8637 6.9513 4.61049 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.77049 11.3797 6.33889 15.8678 9.16116 6.64015 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 8.77049 11.3797 6.33889 6.08055 8.47109 13.7377 numMergedOcc 0
4 mol 9 unq 4 iso 0 dist 6.95341 11.7623 6.33889 9.03359 7.2199 5.60154 numMergedOcc 0
5 mol 9 unq 5 iso 0 dist 6.95341 11.7623 6.33889 12.1945 6.9513 4.61049 numMergedOcc 0
6 mol 9 unq 6 iso 0 dist 6.95341 11.7623 6.33889 15.8801 9.16116 6.64015 numMergedOcc 0
7 mol 9 unq 7 iso 0 dist 6.95341 11.7623 6.33889 4.46001 8.47109 13.7377 numMergedOcc 0
8 mol 15 unq 0 iso 0 dist 6.61158 7.63656 8.21493 11.2204 8.96967 5.01321 numMergedOcc 0
9 mol 15 unq 1 iso 0 dist 6.61158 12.2588 7.12903 11.2204 8.96967 5.55659 numMergedOcc 0
10 mol 32 unq 0 iso 0 dist 7.88576 14.4244 8.68559 10.3796 7.18766 7.93694 numMergedOcc 0
11 mol 32 unq 1 iso 0 dist 7.88576 14.4244 8.68559 10.2167 7.48825 6.68431 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 8.68726 10.8906 8.24062 5.85924 6.5096 5.33688 numMergedOcc 0
13 mol 99 unq 0 iso 0 dist 4.74654 7.79079 7.72108 6.40485 6.6925 5.81128 numMergedOcc 0
14 mol 99 unq 1 iso 0 dist 4.74654 7.79079 7.72108 4.42043 7.12746 4.91474 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 7.50886 9.09179 6.73814 9.22317 9.86739 12.1324 numMergedOcc 0
16 mol 114 unq 1 iso 0 dist 7.50886 9.09179 6.73814 10.9258 8.39249 6.95201 numMergedOcc 0
17 mol 114 unq 2 iso 0 dist 7.50886 9.09179 6.73814 5.48365 8.93623 5.9968 numMergedOcc 0
18 mol 114 unq 3 iso 0 dist 9.78437 7.6321 6.96442 12.1715 8.87941 5.37729 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 5.58063 5.24961 7.64585 10.3316 6.40036 10.7942 numMergedOcc 0
20 mol 155 unq 0 iso 0 dist 9.16944 5.01118 9.17284 5.10076 6.51096 6.3845 numMergedOcc 0
21 mol 155 unq 1 iso 0 dist 9.16944 10.1253 9.87281 5.10076 6.51096 5.48883 numMergedOcc 0
22 mol 155 unq 2 iso 0 dist 9.16944 9.88413 8.87452 5.10076 6.51096 5.77564 numMergedOcc 0
23 mol 155 unq 3 iso 0 dist 8.02593 5.01007 7.39644 5.92486 7.37901 5.40375 numMergedOcc 0
24 mol 155 unq 4 iso 0 dist 8.02593 9.80448 7.36102 5.92486 7.37901 6.34186 numMergedOcc 0
25 mol 155 unq 5 iso 0 dist 8.77391 12.7814 7.39644 9.36845 7.37901 5.40375 numMergedOcc 0
26 mol 155 unq 6 iso 0 dist 8.77391 4.94973 7.36102 9.36845 7.37901 6.34186 numMergedOcc 0
27 mol 155 unq 7 iso 0 dist 7.62575 14.7279 9.86313 4.40049 7.37901 13.5062 numMergedOcc 0
28 mol 155 unq 8 iso 0 dist 7.62575 10.4606 7.51198 4.40049 7.37901 8.27726 numMergedOcc 0
29 mol 173 unq 0 iso 0 dist 9.56248 8.11337 7.93331 18.0449 9.79554 13.3053 numMergedOcc 0
30 mol 173 unq 1 iso 0 dist 9.56248 10.8336 6.98095 18.0449 9.79554 8.94065 numMergedOcc 0
31 mol 173 unq 2 iso 0 dist 9.56248 10.6484 8.31897 18.0449 9.79554 14.2537 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 8.45395 9.47799 6.94688 7.58472 8.20656 8.25067 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 9.15368 9.09989 6.94688 4.24915 8.20656 8.25067 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 9.20477 4.98009 6.94688 5.70246 8.20656 8.25067 numMergedOcc 0
35 mol 181 unq 3 iso 0 dist 5.41368 9.47799 6.71012 7.58472 9.40622 8.25067 numMergedOcc 0
36 mol 181 unq 4 iso 0 dist 7.96182 9.09989 6.71012 4.24915 9.40622 8.25067 numMergedOcc 0
37 mol 181 unq 5 iso 0 dist 7.90237 4.98009 6.71012 5.70246 9.40622 8.25067 numMergedOcc 0
38 mol 218 unq 0 iso 0 dist 7.90156 11.7195 7.17547 10.6875 8.57853 4.54272 numMergedOcc 0
39 mol 218 unq 1 iso 0 dist 7.90156 11.7195 7.17547 5.85592 6.75035 10.2673 numMergedOcc 0
40 mol 218 unq 2 iso 0 dist 7.90156 4.67327 7.13323 10.6875 8.57853 6.8949 numMergedOcc 0
41 mol 218 unq 3 iso 0 dist 7.90156 4.67327 7.13323 5.85592 6.75035 6.60235 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 8.42382 7.2593 9.62609 7.51342 6.152 8.8709 numMergedOcc 0
43 mol 232 unq 0 iso 0 dist 7.79085 12.6449 7.07392 12.48 9.86861 6.66754 numMergedOcc 0
44 mol 232 unq 1 iso 0 dist 7.79085 12.0243 9.62952 12.48 9.86861 5.82592 numMergedOcc 0
45 mol 232 unq 2 iso 0 dist 6.48753 10.0878 7.07392 8.59775 9.86861 6.66754 numMergedOcc 0
46 mol 232 unq 3 iso 0 dist 6.48753 9.58249 9.62952 8.59775 9.86861 5.82592 numMergedOcc 0
47 mol 232 unq 4 iso 0 dist 7.83802 8.32185 7.07392 4.33622 9.86861 6.66754 numMergedOcc 0
48 mol 232 unq 5 iso 0 dist 7.83802 8.24395 9.62952 4.33622 9.86861 5.82592 numMergedOcc 0
49 mol 233 unq 0 iso 0 dist 7.83363 12.3957 9.43203 11.8509 9.2911 4.53103 numMergedOcc 0
50 mol 235 unq 0 iso 0 dist 9.74324 13.6747 5.65339 10.5623 7.27958 6.43692 numMergedOcc 0
51 mol 235 unq 1 iso 0 dist 8.19915 6.84447 8.21247 5.85485 7.27958 10.6981 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 9.46582 9.23693 7.67322 14.0686 6.5772 8.82861 numMergedOcc 0
53 mol 243 unq 0 iso 0 dist 8.53888 10.3202 8.61104 10.4928 9.1101 6.55284 numMergedOcc 0
54 mol 243 unq 1 iso 0 dist 8.53888 10.3202 8.61104 4.20431 8.93338 10.5389 numMergedOcc 0
55 mol 243 unq 2 iso 0 dist 9.46855 10.1405 8.61104 13.8577 9.1101 6.55284 numMergedOcc 0
56 mol 243 unq 3 iso 0 dist 9.46855 10.1405 8.61104 10.5337 8.93338 10.5389 numMergedOcc 0
57 mol 274 unq 0 iso 0 dist 8.62431 4.56913 6.50589 5.95459 8.49866 5.31116 numMergedOcc 0
