0 mol 7 unq 0 iso 0 dist 9.8603 14.6665 7.10621 20.1827 10.515 9.36807 15.8072 8.72114 13.8829 9.97624 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 10.6104 8.41585 10.9688 6.06176 6.36911 10.1958 10.3148 5.03847 9.97624 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 8.05508 5.34079 6.85766 11.5407 7.29033 6.71911 14.4223 14.8852 9.64444 9.2902 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 5.02717 6.75472 5.83991 13.1716 10.9739 7.76729 20.1952 17.0848 14.0688 7.70313 numMergedOcc 0
4 mol 115 unq 1 iso 0 dist 5.02717 11.0268 7.88312 14.0848 11.7126 6.99777 13.9604 12.13 5.22052 5.60389 numMergedOcc 0
5 mol 115 unq 2 iso 0 dist 4.98864 6.59772 6.11741 12.7883 10.8939 7.64585 12.7351 12.2743 6.40494 7.52142 numMergedOcc 0
6 mol 115 unq 3 iso 0 dist 7.95871 4.86477 6.11741 10.1292 10.8939 7.64585 9.25102 12.2743 6.40494 7.52142 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.44385 12.1192 9.87172 13.4009 7.36192 7.44174 20.1338 14.2293 10.314 7.26955 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 5.63005 10.5268 8.73993 13.4009 10.6679 9.63176 20.1338 17.9198 15.5019 7.26955 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.50322 5.37072 7.11802 11.5756 4.68409 7.92688 10.2948 9.22661 5.92062 6.51868 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 9.50322 5.37072 7.11802 11.5756 4.68409 7.92688 11.6924 7.56378 6.61891 7.34698 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 5.82404 5.37072 8.00618 11.5756 12.2037 7.92688 10.2948 13.5028 5.92062 6.51868 numMergedOcc 0
12 mol 133 unq 3 iso 0 dist 5.82404 5.37072 8.00618 11.5756 12.2037 7.92688 11.6924 11.8433 6.61891 7.34698 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 6.17129 6.7991 4.93785 6.78739 5.94469 7.77758 7.05653 numMergedOcc 0
14 mol 192 unq 0 iso 0 dist 9.90531 8.43102 5.59424 14.1636 5.71262 8.36822 11.0516 8.77999 8.49529 7.33225 numMergedOcc 0
15 mol 227 unq 0 iso 0 dist 9.07872 9.9474 7.09863 16.431 9.13836 8.17891 15.1769 9.74265 10.9607 7.57454 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 9.11256 6.84447 5.4638 8.19915 4.65302 8.21247 3.93066 9.55668 7.60081 7.95766 numMergedOcc 0
17 mol 235 unq 1 iso 0 dist 8.48065 5.23741 5.4638 14.8164 9.66021 9.58736 20.5983 16.5425 15.6327 7.31773 numMergedOcc 0
18 mol 235 unq 2 iso 0 dist 7.08539 7.38431 5.4638 10.8124 4.65302 8.21247 13.0408 9.55668 7.60081 7.95766 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 8.06771 9.79538 7.88519 13.1236 11.6195 7.48005 5.61261 7.98231 8.81835 8.71497 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 9.54857 15.3806 7.46176 10.5864 5.79468 7.48005 8.74892 7.08526 8.81835 8.71497 numMergedOcc 0
21 mol 259 unq 2 iso 0 dist 6.42725 8.70769 5.30224 8.65525 5.31048 8.37865 10.444 10.4552 8.75685 8.71497 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 8.19504 3.93713 6.24356 11.0809 5.12409 9.0012 7.28197 5.93616 7.52936 5.91213 numMergedOcc 0
23 mol 264 unq 1 iso 0 dist 8.19504 3.93713 6.24356 11.1852 9.67998 9.5784 7.28197 5.93616 7.52936 7.34094 numMergedOcc 0
