0 mol 7 unq 0 iso 0 dist 9.8603 14.6665 7.10621 20.1368 10.789 7.31201 13.8384 5.72491 5.44992 9.55056 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.8603 14.6665 7.10621 20.1368 10.789 7.31201 17.8433 9.67579 4.74523 7.57354 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.8603 14.6665 7.10621 20.1827 10.515 9.36807 13.8384 5.72491 5.44992 7.45262 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 9.8603 14.6665 7.10621 20.1827 10.515 9.36807 17.8433 9.67579 4.74523 6.96586 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 5.51421 10.6104 8.41585 10.9688 6.06176 6.36911 10.3237 7.88043 10.2446 7.45262 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 5.51421 10.6104 8.41585 10.9688 6.06176 6.36911 13 8.80762 12.3097 6.96586 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 9.7522 15.0931 8.34347 17.1125 11.887 9.16962 20.9421 17.0926 17.7956 9.25649 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 9.7522 15.0931 8.34347 17.1125 11.887 9.16962 13.2227 13.664 15.23 9.36104 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.58793 9.21014 6.19965 14.6315 11.6116 9.47876 12.4821 10.255 4.18004 8.87194 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 6.58793 7.83419 7.66905 14.6315 11.6116 7.22293 12.4821 10.255 8.42713 8.87194 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 5.02717 11.0268 7.88312 14.0848 11.7126 6.99777 4.92962 5.72642 7.3094 9.9928 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 6.18763 5.3154 6.18601 10.2497 10.3457 8.43904 9.79485 14.6439 10.326 9.87025 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 8.44385 12.1192 9.87172 10.2497 6.35763 6.19042 9.79485 7.99857 7.61939 9.87025 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 8.44385 12.1192 9.87172 13.4009 7.36192 7.44174 18.48 15.5802 9.15779 9.05798 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 8.44385 12.1192 9.87172 13.4009 7.36192 7.44174 9.79485 7.99857 7.61939 5.85818 numMergedOcc 0
15 mol 119 unq 4 iso 0 dist 5.63005 10.5268 8.73993 13.4009 10.6679 9.63176 18.48 17.7572 12.7179 9.05798 numMergedOcc 0
16 mol 119 unq 5 iso 0 dist 5.63005 10.5268 8.73993 13.4009 10.6679 9.63176 9.79485 8.56342 4.91132 5.85818 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 9.50322 5.37072 7.11802 11.5756 4.68409 7.92688 11.3259 12.2715 8.6769 9.4062 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 5.82404 5.37072 8.00618 11.5756 12.2037 7.92688 11.3259 15.7259 8.6769 9.4062 numMergedOcc 0
19 mol 192 unq 0 iso 0 dist 9.90531 8.43102 5.59424 14.1636 5.71262 8.36822 7.32981 7.24199 7.0057 8.53433 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 9.51764 6.53326 8.85478 11.3587 6.67959 7.46831 10.5029 6.38157 5.63388 5.10114 numMergedOcc 0
21 mol 214 unq 1 iso 0 dist 5.36829 12.3481 8.85478 10.5513 6.67959 7.46831 8.38755 6.38157 5.63388 5.10114 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 16.431 9.13836 8.17891 16.8257 12.2278 10.5813 7.1372 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 8.48065 5.23741 5.4638 14.8164 9.66021 9.58736 19.4661 17.7022 15.0089 9.31673 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 6.24928 5.33567 6.57393 8.81534 6.20606 5.38637 13.5907 13.7544 11.1167 8.6597 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 9.94315 12.521 5.72887 12.9182 13.069 9.29858 12.1653 11.2809 10.7551 9.47845 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 8.59074 9.18011 5.72887 9.77231 13.069 9.29858 12.2456 11.2809 10.7551 9.47845 numMergedOcc 0
27 mol 238 unq 3 iso 0 dist 6.2365 4.7157 5.72887 10.2583 13.069 9.29858 13.3679 11.2809 10.7551 9.47845 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 8.06771 9.79538 7.88519 13.1236 11.6195 7.48005 8.4973 10.5803 5.60748 6.39918 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 9.54857 15.3806 7.46176 10.5864 5.79468 7.48005 12.7168 8.55558 5.60748 6.39918 numMergedOcc 0
30 mol 259 unq 2 iso 0 dist 6.42725 8.70769 5.30224 8.65525 5.31048 8.37865 12.2782 8.59697 7.31951 6.39918 numMergedOcc 0
31 mol 261 unq 0 iso 0 dist 8.65236 4.49913 9.14619 10.4678 7.49174 7.47164 3.67304 5.26434 6.04016 9.24121 numMergedOcc 0
32 mol 261 unq 1 iso 0 dist 9.73983 4.49913 8.45658 10.4678 5.22253 7.47164 3.67304 8.60026 6.04016 9.24121 numMergedOcc 0
33 mol 264 unq 0 iso 0 dist 8.19504 3.93713 6.24356 11.1852 9.67998 9.5784 7.64115 11.0622 8.45726 6.5422 numMergedOcc 0
34 mol 294 unq 0 iso 0 dist 7.98617 10.2761 8.15665 11.886 6.17102 9.03492 8.97436 9.13907 5.25615 8.32473 numMergedOcc 0
