0 mol 15 unq 0 iso 0 dist 5.70754 5.69927 8.4014 10.8364 12.4204 6.82187 5.19544 5.69755 5.89412 7.49229 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 9.86038 5.8457 8.04242 12.9602 4.21164 9.67557 12.8003 13.5973 7.54568 13.5302 numMergedOcc 0
2 mol 109 unq 0 iso 0 dist 6.3323 11.1132 7.44558 13.7482 10.3271 9.64641 14.7325 9.63255 7.02927 14.3991 numMergedOcc 0
3 mol 109 unq 1 iso 0 dist 6.3323 11.1132 7.44558 13.7482 10.3271 9.64641 8.48774 4.0719 6.60933 6.25986 numMergedOcc 0
4 mol 117 unq 0 iso 0 dist 6.01857 11.1675 7.42146 12.173 9.30266 9.32858 16.3287 10.5934 7.70232 10.8848 numMergedOcc 0
5 mol 117 unq 1 iso 0 dist 6.01857 11.1675 7.42146 12.173 9.30266 9.32858 17.054 11.9806 7.4671 9.26317 numMergedOcc 0
6 mol 117 unq 2 iso 0 dist 9.30187 6.7814 7.78789 7.82249 5.24084 9.32858 12.6334 6.05048 7.70232 10.8848 numMergedOcc 0
7 mol 117 unq 3 iso 0 dist 9.30187 6.7814 7.78789 7.82249 5.24084 9.32858 10.3116 4.42665 7.4671 9.26317 numMergedOcc 0
8 mol 122 unq 0 iso 0 dist 6.80798 4.42285 4.42563 12.5418 6.39355 8.75778 11.7617 11.3935 9.23819 10.8777 numMergedOcc 0
9 mol 122 unq 1 iso 0 dist 6.80798 4.42285 4.42563 12.5418 6.39355 8.75778 11.999 8.90201 8.88537 6.78281 numMergedOcc 0
10 mol 163 unq 0 iso 0 dist 9.37245 4.12904 8.16252 9.24754 5.57089 8.32426 9.62943 9.10855 9.07943 3.7064 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 8.93485 4.2475 9.31158 9.85777 10.5366 6.94789 7.23557 9.43113 4.8668 10.0824 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 8.93485 4.2475 9.31158 5.05912 9.27501 6.23932 7.23557 9.43113 4.8668 5.00854 numMergedOcc 0
13 mol 205 unq 2 iso 0 dist 5.66636 6.8901 9.31158 10.4571 10.5366 6.94789 8.86587 9.43113 4.8668 10.0824 numMergedOcc 0
14 mol 205 unq 3 iso 0 dist 5.66636 6.8901 9.31158 6.60429 9.27501 6.23932 8.86587 9.43113 4.8668 5.00854 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 9.25184 3.84723 6.85824 5.70065 6.59517 6.13878 10.7279 4.73037 7.10826 9.94073 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 9.60767 11.6193 5.4557 18.1887 11.3756 7.69358 16.4974 7.26991 7.6595 10.4922 numMergedOcc 0
17 mol 287 unq 0 iso 0 dist 7.84189 7.19628 5.30118 12.7673 5.13698 7.7743 7.76945 5.39801 9.65934 9.62532 numMergedOcc 0
18 mol 288 unq 0 iso 0 dist 7.84189 7.19628 5.30118 12.7673 5.13698 7.7743 7.76945 5.39801 9.65934 9.62532 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 7.84189 7.19628 5.30118 12.7673 5.13698 7.7743 7.76945 5.39801 9.65934 9.62532 numMergedOcc 0
