0 mol 14 unq 0 iso 0 dist 7.28563 8.51112 4.53725 12.3645 9.58196 9.04767 8.29358 8.84686 9.6726 5.76302 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 8.51213 6.41856 10.1903 11.0081 9.51761 11.4791 5.34733 5.65084 9.45949 12.6536 numMergedOcc 0
2 mol 18 unq 1 iso 0 dist 8.51213 6.41856 10.1903 11.3758 7.3094 15.4322 5.34733 5.65084 9.45949 9.36767 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.99509 8.47617 5.06502 8.14351 5.73819 6.20293 11.0512 6.66407 10.0168 5.07458 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.99509 5.73331 5.89973 8.14351 5.73819 8.93915 11.0512 6.66407 10.9975 5.07458 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 8.99509 8.48694 11.1644 8.14351 5.73819 14.0988 11.0512 6.66407 16.3946 5.07458 numMergedOcc 0
6 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
7 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
8 mol 95 unq 1 iso 0 dist 8.13273 8.29852 6.59884 6.56354 9.03572 11.5113 5.78182 5.75428 10.0848 4.46005 numMergedOcc 0
9 mol 95 unq 2 iso 0 dist 8.13273 8.29852 6.59884 6.56354 9.03572 11.5113 12.5746 8.57395 14.2618 8.28518 numMergedOcc 0
10 mol 95 unq 3 iso 0 dist 8.13273 8.29852 6.59884 6.56354 9.03572 11.5113 16.9294 9.85409 15.9129 15.917 numMergedOcc 0
11 mol 95 unq 4 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
12 mol 95 unq 5 iso 0 dist 8.13273 8.29852 6.59884 6.68919 8.83255 12.9844 5.78182 5.75428 10.0848 3.94293 numMergedOcc 0
13 mol 95 unq 6 iso 0 dist 8.13273 8.29852 6.59884 6.68919 8.83255 12.9844 12.5746 8.57395 14.2618 9.22202 numMergedOcc 0
14 mol 95 unq 7 iso 0 dist 8.13273 8.29852 6.59884 6.68919 8.83255 12.9844 16.9294 9.85409 15.9129 13.7484 numMergedOcc 0
15 mol 95 unq 8 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
16 mol 95 unq 9 iso 0 dist 8.13273 8.29852 6.59884 14.1434 8.03644 11.3446 5.78182 5.75428 10.0848 12.4896 numMergedOcc 0
17 mol 95 unq 10 iso 0 dist 8.13273 8.29852 6.59884 14.1434 8.03644 11.3446 12.5746 8.57395 14.2618 14.2178 numMergedOcc 0
18 mol 95 unq 11 iso 0 dist 8.13273 8.29852 6.59884 14.1434 8.03644 11.3446 16.9294 9.85409 15.9129 8.78079 numMergedOcc 0
19 mol 133 unq 0 iso 0 dist 8.29673 6.53153 6.761 5.78974 7.24514 9.91388 10.2739 8.26547 12.4934 5.03174 numMergedOcc 0
20 mol 133 unq 1 iso 0 dist 8.29673 6.53153 6.761 9.35671 8.22656 10.0372 10.2739 8.26547 12.4934 4.88025 numMergedOcc 0
21 mol 133 unq 2 iso 0 dist 8.29673 6.29975 7.6656 5.78974 7.24514 9.52634 10.2739 8.26547 13.5471 5.03174 numMergedOcc 0
22 mol 133 unq 3 iso 0 dist 8.29673 6.29975 7.6656 9.35671 8.22656 13.4163 10.2739 8.26547 13.5471 4.88025 numMergedOcc 0
23 mol 178 unq 0 iso 0 dist 5.41229 8.57378 5.34677 4.51874 6.69288 6.43573 4.00111 7.06025 10.0638 6.42973 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 8.9413 6.15754 5.88703 12.4455 9.45496 6.56247 14.075 7.81215 11.6391 12.4252 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 8.9413 6.15754 5.88703 14.0876 6.7625 9.36357 14.075 7.81215 11.6391 5.75498 numMergedOcc 0
26 mol 234 unq 2 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
27 mol 234 unq 3 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
28 mol 238 unq 0 iso 0 dist 5.99187 8.39522 14.0328 5.74685 6.22714 13.1053 13.6867 9.08509 20.0719 12.7938 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 5.99187 8.39522 14.0328 5.87189 7.31233 11.101 13.6867 9.08509 20.0719 11.0772 numMergedOcc 0
30 mol 238 unq 2 iso 0 dist 5.99187 9.93378 6.85126 5.74685 6.22714 12.6642 13.6867 9.08509 11.9549 12.7938 numMergedOcc 0
31 mol 238 unq 3 iso 0 dist 5.99187 9.93378 6.85126 5.87189 7.31233 13.1583 13.6867 9.08509 11.9549 11.0772 numMergedOcc 0
32 mol 243 unq 0 iso 0 dist 8.69557 9.39147 10.2411 9.51148 8.23192 16.5593 4.02386 7.10671 11.8754 5.74165 numMergedOcc 0
33 mol 243 unq 1 iso 0 dist 8.69557 9.39147 10.2411 9.51148 8.23192 16.5593 8.36019 8.67156 12.0019 9.89868 numMergedOcc 0
34 mol 259 unq 0 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
35 mol 259 unq 1 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
36 mol 259 unq 2 iso 0 dist 6.20344 5.29682 4.69778 5.56656 7.88519 8.13497 10.4532 9.63573 12.8229 7.20604 numMergedOcc 0
37 mol 259 unq 3 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
38 mol 259 unq 4 iso 0 dist 6.20344 5.29682 4.69778 6.08432 7.84554 9.95973 10.4532 9.63573 12.8229 5.05362 numMergedOcc 0
39 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
40 mol 259 unq 6 iso 0 dist 6.20344 5.29682 4.69778 10.3156 7.46176 10.3935 10.4532 9.63573 12.8229 5.21606 numMergedOcc 0
41 mol 259 unq 7 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
42 mol 259 unq 8 iso 0 dist 6.20344 5.29682 4.69778 9.55719 9.18903 12.6839 10.4532 9.63573 12.8229 7.46841 numMergedOcc 0
43 mol 259 unq 9 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
