0 mol 14 unq 0 iso 0 dist 8.51112 7.28563 4.53725 12.3645 9.04767 9.58196 8.29358 9.6726 8.84686 5.76302 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 8.19077 9.70612 12.0651 6.12182 7.50293 15.1366 8.46463 15.4287 9.19165 14.1447 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.47617 8.99509 5.06502 15.1595 8.80331 10.5523 11.0512 10.0168 6.66407 10.8828 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.47617 8.99509 5.06502 8.14351 6.20293 5.73819 11.0512 10.0168 6.66407 5.07458 numMergedOcc 0
4 mol 43 unq 2 iso 0 dist 5.73331 8.99509 5.89973 8.14351 8.93915 5.73819 11.0512 10.9975 6.66407 5.07458 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 7.66055 9.92438 5.79773 5.76106 6.81627 11.715 3.73561 5.38524 8.66539 5.61579 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 8.13273 8.29852 6.59884 6.56354 9.03572 11.5113 3.84897 8.27883 7.7152 4.99174 numMergedOcc 0
7 mol 95 unq 1 iso 0 dist 8.13273 8.29852 6.59884 6.68919 8.83255 12.9844 3.84897 8.27883 7.7152 8.67311 numMergedOcc 0
8 mol 95 unq 2 iso 0 dist 8.13273 8.29852 6.59884 14.1434 8.03644 11.3446 3.84897 8.27883 7.7152 15.6249 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 6.53153 8.29673 6.761 5.78974 9.91388 7.24514 10.2739 12.4934 8.26547 5.03174 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 6.29975 8.29673 7.6656 4.90674 6.5107 12.0352 10.2739 13.5471 8.26547 14.5233 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 6.29975 8.29673 7.6656 5.78974 9.52634 7.24514 10.2739 13.5471 8.26547 5.03174 numMergedOcc 0
12 mol 178 unq 0 iso 0 dist 8.57378 5.41229 5.34677 4.51874 6.43573 6.69288 4.00111 10.0638 7.06025 6.42973 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 6.15754 8.9413 5.88703 11.8245 8.34494 12.9605 14.075 11.6391 7.81215 14.898 numMergedOcc 0
14 mol 234 unq 1 iso 0 dist 6.15754 8.9413 5.88703 12.4455 6.56247 9.45496 14.075 11.6391 7.81215 12.4252 numMergedOcc 0
15 mol 234 unq 2 iso 0 dist 6.15754 8.9413 5.88703 14.0876 9.36357 6.7625 14.075 11.6391 7.81215 5.75498 numMergedOcc 0
16 mol 234 unq 3 iso 0 dist 4.91961 7.14333 10.2693 11.5103 9.45496 17.458 4.84686 7.81215 5.64285 12.4252 numMergedOcc 0
17 mol 234 unq 4 iso 0 dist 4.91961 7.14333 10.2693 4.98993 6.7625 10.701 4.84686 7.81215 5.64285 5.75498 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 8.39522 5.99187 14.0328 4.88998 6.57393 10.0756 13.6867 20.0719 9.08509 16.0331 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 8.39522 9.93378 15.8898 4.88998 6.57393 14.6071 13.7872 15.1958 9.06592 16.8013 numMergedOcc 0
20 mol 238 unq 2 iso 0 dist 5.99187 9.93378 6.85126 5.74685 6.22714 12.6642 13.7872 13.3867 9.06592 18.3429 numMergedOcc 0
21 mol 238 unq 3 iso 0 dist 5.99187 9.93378 6.85126 5.87189 7.31233 13.1583 13.7872 13.3867 9.06592 16.2442 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 5.29682 6.20344 4.69778 5.48552 8.53687 10.5767 10.4532 12.8229 9.63573 15.3689 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 5.29682 6.20344 4.69778 5.48552 8.53687 10.5767 5.13757 9.07743 7.66153 6.73882 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 5.29682 6.20344 4.69778 5.56656 8.13497 7.88519 10.4532 12.8229 9.63573 7.20604 numMergedOcc 0
25 mol 259 unq 3 iso 0 dist 5.29682 6.20344 4.69778 5.56656 8.13497 7.88519 5.13757 9.07743 7.66153 8.8603 numMergedOcc 0
26 mol 259 unq 4 iso 0 dist 6.20344 5.29682 4.69778 5.56656 7.88519 8.13497 5.13757 7.66153 9.07743 8.8603 numMergedOcc 0
27 mol 259 unq 5 iso 0 dist 6.20344 5.29682 4.69778 6.08432 7.84554 9.95973 5.13757 7.66153 9.07743 5.8801 numMergedOcc 0
28 mol 259 unq 6 iso 0 dist 6.20344 5.29682 4.69778 10.3156 7.46176 10.3935 5.13757 7.66153 9.07743 11.8896 numMergedOcc 0
29 mol 259 unq 7 iso 0 dist 6.20344 5.29682 4.69778 9.55719 9.18903 12.6839 5.13757 7.66153 9.07743 5.81576 numMergedOcc 0
