0 mol 30 unq 0 iso 0 dist 5.98814 10.3825 5.61656 5.69381 7.02425 7.87571 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 5.98814 11.0651 8.67487 5.69381 7.02425 6.24924 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 5.98814 11.4088 6.95343 5.69381 7.02425 9.62374 numMergedOcc 0
3 mol 30 unq 3 iso 0 dist 7.00096 10.3825 7.22242 5.69381 7.69972 7.87571 numMergedOcc 0
4 mol 30 unq 4 iso 0 dist 6.7734 7.12759 7.22242 10.4059 7.69972 7.87571 numMergedOcc 0
5 mol 30 unq 5 iso 0 dist 8.99097 4.43881 7.22242 10.4381 7.69972 7.87571 numMergedOcc 0
6 mol 34 unq 0 iso 0 dist 8.55348 11.7949 9.44189 9.9482 6.74143 4.55481 numMergedOcc 0
7 mol 34 unq 1 iso 0 dist 8.55348 11.7949 9.44189 3.92518 7.70274 13.4762 numMergedOcc 0
8 mol 34 unq 2 iso 0 dist 9.09309 18.1833 9.44189 15.5878 6.74143 4.55481 numMergedOcc 0
9 mol 34 unq 3 iso 0 dist 9.09309 18.1833 9.44189 12.0266 7.70274 13.4762 numMergedOcc 0
10 mol 105 unq 0 iso 0 dist 9.24544 11.1744 8.63784 6.54684 9.09103 7.20893 numMergedOcc 0
11 mol 105 unq 1 iso 0 dist 9.24544 11.1744 8.63784 6.79366 4.61871 5.36369 numMergedOcc 0
12 mol 105 unq 2 iso 0 dist 6.99835 4.61107 8.63784 9.16955 9.09103 7.20893 numMergedOcc 0
13 mol 105 unq 3 iso 0 dist 6.99835 4.61107 8.63784 4.59356 4.61871 5.36369 numMergedOcc 0
14 mol 154 unq 0 iso 0 dist 6.31906 8.32419 7.74216 4.65363 5.98313 4.55687 numMergedOcc 0
15 mol 157 unq 0 iso 0 dist 9.06225 12.6001 7.02823 5.43167 7.98849 9.13808 numMergedOcc 0
16 mol 157 unq 1 iso 0 dist 9.06225 12.6001 7.02823 8.88508 8.18386 5.40634 numMergedOcc 0
17 mol 157 unq 2 iso 0 dist 9.06225 6.91388 8.97404 5.43167 7.98849 10.308 numMergedOcc 0
18 mol 157 unq 3 iso 0 dist 9.06225 6.91388 8.97404 8.88508 8.18386 10.5879 numMergedOcc 0
19 mol 157 unq 4 iso 0 dist 4.60873 6.91388 6.8364 5.43167 7.30209 10.308 numMergedOcc 0
20 mol 170 unq 0 iso 0 dist 6.46097 4.81264 6.36868 10.6961 6.92359 6.86812 numMergedOcc 0
21 mol 229 unq 0 iso 0 dist 9.3622 10.2308 7.77578 12.8062 7.8168 6.83765 numMergedOcc 0
22 mol 229 unq 1 iso 0 dist 9.3622 6.36273 7.38552 12.8062 7.8168 7.22525 numMergedOcc 0
23 mol 244 unq 0 iso 0 dist 7.98266 12.2823 7.27258 4.48096 6.22884 9.08418 numMergedOcc 0
24 mol 244 unq 1 iso 0 dist 7.98266 12.2823 7.27258 16.5819 8.69671 9.51776 numMergedOcc 0
25 mol 244 unq 2 iso 0 dist 7.98266 12.2823 7.27258 9.39155 7.67041 11.589 numMergedOcc 0
26 mol 244 unq 3 iso 0 dist 7.98266 11.7498 5.29811 4.48096 6.22884 8.57313 numMergedOcc 0
27 mol 244 unq 4 iso 0 dist 7.98266 11.7498 5.29811 16.5819 8.69671 6.1597 numMergedOcc 0
28 mol 244 unq 5 iso 0 dist 7.98266 11.7498 5.29811 9.39155 7.67041 5.8752 numMergedOcc 0
29 mol 244 unq 6 iso 0 dist 8.80818 10.5214 7.27258 8.62944 6.22884 9.08418 numMergedOcc 0
30 mol 244 unq 7 iso 0 dist 8.80818 10.5214 7.27258 10.2531 8.69671 9.51776 numMergedOcc 0
31 mol 244 unq 8 iso 0 dist 8.80818 10.5214 7.27258 3.96387 7.67041 11.589 numMergedOcc 0
32 mol 244 unq 9 iso 0 dist 8.80818 4.84509 5.29811 8.62944 6.22884 8.57313 numMergedOcc 0
33 mol 244 unq 10 iso 0 dist 8.80818 4.84509 5.29811 10.2531 8.69671 6.1597 numMergedOcc 0
34 mol 244 unq 11 iso 0 dist 8.80818 4.84509 5.29811 3.96387 7.67041 5.8752 numMergedOcc 0
35 mol 273 unq 0 iso 0 dist 8.87049 10.8895 6.70271 16.0686 9.31904 12.2939 numMergedOcc 0
36 mol 273 unq 1 iso 0 dist 8.87049 10.8895 6.70271 7.22038 8.93651 5.75897 numMergedOcc 0
37 mol 273 unq 2 iso 0 dist 8.87049 8.95251 6.08532 16.0686 9.31904 9.38086 numMergedOcc 0
38 mol 273 unq 3 iso 0 dist 8.87049 8.95251 6.08532 7.22038 8.93651 6.08661 numMergedOcc 0
39 mol 279 unq 0 iso 0 dist 9.77507 11.4224 6.55783 13.455 4.81851 6.23218 numMergedOcc 0
40 mol 279 unq 1 iso 0 dist 8.21389 9.26653 6.55783 5.75039 4.81851 6.23218 numMergedOcc 0
