0 mol 43 unq 0 iso 0 dist 6.84521 5.84171 5.73819 8.90024 5.06502 6.20293 13.2914 12.3649 8.38399 8.95682 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 6.78532 5.84171 8.93915 8.90024 6.45462 6.20293 13.2914 14.3789 8.38399 8.95682 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.81637 11.9429 6.62496 14.9123 5.30792 6.86465 6.18332 5.93884 5.78774 9.92355 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 9.81637 11.9429 6.62496 12.4928 4.81926 6.35756 6.18332 5.93884 5.78774 7.68678 numMergedOcc 0
4 mol 95 unq 0 iso 0 dist 8.07365 14.1188 7.27724 12.3834 8.41707 8.03644 11.756 12.1092 11.4333 9.49454 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 9.50575 6.68557 5.11551 12.88 6.5838 7.11972 13.4067 6.92026 6.77806 5.88249 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 8.43116 4.96719 5.11551 6.23645 6.5838 7.11972 5.19545 6.92026 6.77806 5.88249 numMergedOcc 0
7 mol 115 unq 2 iso 0 dist 6.23645 4.96719 7.11972 8.43116 6.5838 5.11551 5.19545 5.88249 6.77806 6.92026 numMergedOcc 0
8 mol 115 unq 3 iso 0 dist 6.23645 6.47836 6.90986 9.62812 5.67807 5.39945 5.19545 5.88249 5.31484 6.97707 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.94179 6.70853 9.52634 13.2418 6.69554 9.91388 4.77149 6.66772 4.34568 9.97654 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 9.94179 6.70853 9.52634 12.2738 7.6656 7.24514 4.77149 6.66772 4.34568 7.71248 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 9.00172 14.0905 8.00618 8.66715 8.18495 7.11802 5.05981 12.7901 16.0138 9.22232 numMergedOcc 0
12 mol 133 unq 3 iso 0 dist 9.00172 14.0905 8.00618 8.66715 8.18495 7.11802 17.5205 13.5028 5.92062 9.22661 numMergedOcc 0
13 mol 133 unq 4 iso 0 dist 9.00172 14.0905 8.00618 8.66715 8.18495 7.11802 15.4908 11.8433 6.61891 7.56378 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 4.68975 9.30817 9.89303 4.9155 5.79898 6.54501 6.64576 5.83771 7.41674 7.80532 numMergedOcc 0
15 mol 134 unq 1 iso 0 dist 8.84656 10.879 6.37586 4.9155 5.00817 6.49416 6.64576 10.7586 9.87376 7.80532 numMergedOcc 0
16 mol 134 unq 2 iso 0 dist 4.9155 9.30817 6.54501 4.68975 5.79898 9.89303 6.64576 7.80532 7.41674 5.83771 numMergedOcc 0
17 mol 134 unq 3 iso 0 dist 8.49987 6.47843 6.54501 9.64152 5.79898 9.89303 5.54455 7.80532 7.41674 5.83771 numMergedOcc 0
18 mol 134 unq 4 iso 0 dist 9.42271 6.16353 6.54501 9.15658 5.79898 9.89303 5.87436 7.80532 7.41674 5.83771 numMergedOcc 0
19 mol 134 unq 5 iso 0 dist 5.79157 13.0109 9.86662 9.87619 6.81259 8.94367 12.2847 9.94764 4.57832 6.23142 numMergedOcc 0
20 mol 134 unq 6 iso 0 dist 5.79157 14.1608 9.71307 9.87619 6.81259 6.37586 12.2847 9.94764 5.29786 6.23142 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 9.74465 8.42326 8.03334 17.2412 13.2049 9.1374 16.1517 16.082 8.91338 8.90963 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 8.27794 4.89429 9.09537 10.4189 10.1912 5.98885 14.2329 18.0578 9.81073 8.90963 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.77347 6.05728 7.54065 15.5541 13.8792 9.70748 9.58889 12.4002 5.4141 7.66165 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 9.25882 9.40714 7.80463 16.4532 13.8543 7.26832 18.0632 17.9798 10.3603 5.44002 numMergedOcc 0
25 mol 229 unq 0 iso 0 dist 6.88694 6.52416 7.03423 6.32302 5.57838 8.22528 6.7597 11.1976 6.65022 8.66332 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 9.2067 9.88911 6.42289 11.1938 7.26417 6.60405 11.8793 11.2102 5.63675 7.21311 numMergedOcc 0
