0 mol 7 unq 0 iso 0 dist 9.8603 15.8072 8.72114 20.1827 10.515 9.97624 13.8384 5.72491 10.1959 7.45262 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.8603 15.8072 8.72114 20.1827 10.515 9.97624 17.8433 9.67579 13.9514 6.96586 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.6396 16.0077 9.01548 12.5693 4.70708 6.63839 13.3963 6.6492 9.12941 8.5404 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 5.41493 4.08339 8.51663 6.0961 5.0364 6.42834 7.51317 9.57606 4.85777 5.52067 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 8.1599 7.46975 4.74544 8.84323 5.49555 6.04903 5.0413 10.9202 7.97193 9.87677 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 9.50322 16.7326 9.22232 15.0113 12.0863 8.21165 20.0515 16.5366 9.78763 8.07135 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 9.50322 10.2948 9.22661 11.5756 4.68409 6.51868 11.3259 12.2715 4.35684 9.4062 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 9.50322 11.6924 7.56378 11.5756 4.68409 7.34698 11.3259 12.2715 11.668 9.4062 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 8.30654 11.6678 7.78652 11.674 6.01455 6.46089 6.49958 7.63338 11.5146 8.1582 numMergedOcc 0
9 mol 143 unq 1 iso 0 dist 8.30654 11.6678 7.78652 11.674 6.01455 6.46089 5.82537 7.25673 6.60479 7.88655 numMergedOcc 0
10 mol 159 unq 0 iso 0 dist 7.97007 6.69743 8.4858 8.91189 4.57561 5.9032 6.23157 7.25742 7.97232 7.13269 numMergedOcc 0
11 mol 192 unq 0 iso 0 dist 9.90531 11.0516 8.77999 14.1636 5.71262 7.33225 7.32981 7.24199 3.86183 8.53433 numMergedOcc 0
12 mol 237 unq 0 iso 0 dist 8.56463 5.32535 6.99315 10.5055 10.1861 7.55103 8.05721 12.6182 9.2471 7.33613 numMergedOcc 0
13 mol 237 unq 1 iso 0 dist 9.42743 11.5107 6.99315 15.177 10.1861 7.55103 19.9685 12.6182 9.2471 7.33613 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 8.06771 5.61261 7.98231 13.1236 11.6195 8.71497 8.4973 10.5803 6.31909 6.39918 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 9.54857 8.74892 7.08526 10.5864 5.79468 8.71497 12.7168 8.55558 6.31909 6.39918 numMergedOcc 0
16 mol 264 unq 0 iso 0 dist 8.19504 7.28197 5.93616 11.1852 9.67998 7.34094 7.64115 11.0622 6.67381 6.5422 numMergedOcc 0
