0 mol 2 unq 0 iso 0 dist 9.74371 9.08872 6.23988 14.7531 9.53758 11.3896 5.30739 9.57674 9.9859 17.4203 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.0166 9.32945 5.63739 5.85668 6.0323 10.2084 11.8191 5.27578 8.94586 9.89662 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 9.32945 8.0166 5.63739 15.279 8.85869 13.8453 11.8191 8.94586 5.27578 14.9956 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 9.90117 8.0166 10.2796 15.279 7.5298 13.8453 11.8191 13.9391 5.27578 14.9956 numMergedOcc 0
4 mol 7 unq 3 iso 0 dist 9.90117 8.0166 10.2796 11.7275 8.94874 16.9449 11.8191 13.9391 5.27578 20.9016 numMergedOcc 0
5 mol 7 unq 4 iso 0 dist 9.90117 9.32945 5.38328 15.279 7.5298 8.85869 11.8191 13.9391 8.94586 14.9956 numMergedOcc 0
6 mol 7 unq 5 iso 0 dist 9.90117 9.32945 5.38328 11.7275 8.94874 13.7 11.8191 13.9391 8.94586 20.9016 numMergedOcc 0
7 mol 12 unq 0 iso 0 dist 8.98466 5.9021 12.3127 8.5421 7.96154 14.2972 7.81704 15.7238 4.49007 15.9855 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 4.628 8.30431 8.0979 4.71793 6.85094 12.8266 10.8154 10.5121 9.32664 14.53 numMergedOcc 0
9 mol 69 unq 0 iso 0 dist 7.09393 3.87167 3.83043 8.50938 8.51894 8.27592 7.14194 11.3628 9.99691 11.597 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 5.39171 8.60363 5.05066 6.13631 7.84699 6.99156 15.52 14.2184 9.53327 10.38 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 5.39171 8.60363 5.05066 12.6081 7.53504 7.21285 15.52 14.2184 9.53327 14.9324 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 9.27355 8.60363 4.4628 6.13631 8.40844 6.99156 15.52 12.4862 9.53327 10.38 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 9.27355 8.60363 4.4628 16.1129 7.02351 10.4593 15.52 12.4862 9.53327 15.6237 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 9.27355 8.60363 4.4628 12.6081 8.66342 7.21285 15.52 12.4862 9.53327 14.9324 numMergedOcc 0
15 mol 199 unq 0 iso 0 dist 9.56785 9.88917 10.3162 10.1856 8.27889 14.034 8.14324 8.32753 9.43695 5.37744 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 9.81136 7.25293 9.46821 14.9808 5.69733 14.3696 5.30923 13.9681 7.43301 18.9791 numMergedOcc 0
17 mol 223 unq 0 iso 0 dist 9.29204 7.80764 16.0208 4.68566 9.86372 11.3699 10.5593 19.6879 6.64193 11.7554 numMergedOcc 0
18 mol 223 unq 1 iso 0 dist 9.29204 5.75896 11.898 4.68566 9.86372 10.1945 5.64061 13.2677 8.12403 5.72754 numMergedOcc 0
19 mol 223 unq 2 iso 0 dist 9.14789 7.80764 16.2327 4.68566 7.70946 11.3699 10.5593 18.5863 6.64193 11.7554 numMergedOcc 0
20 mol 223 unq 3 iso 0 dist 9.14789 5.75896 13.5741 4.68566 7.70946 10.1945 5.64061 12.568 8.12403 5.72754 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 7.21004 9.07452 10.3541 6.33183 5.68643 12.136 16.1753 14.6318 8.30714 16.5341 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 8.75703 6.44266 10.3541 9.34663 5.68643 12.136 7.28382 14.6318 8.30714 16.5341 numMergedOcc 0
23 mol 279 unq 0 iso 0 dist 5.78017 8.78203 10.71 4.77763 8.36655 10.6842 14.4524 17.9117 8.16582 14.2536 numMergedOcc 0
