0 mol 48 unq 0 iso 0 dist 9.48328 8.11968 8.65524 10.3214 3.63758 7.15542 13.2722 5.67204 8.44353 4.84988 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 9.48328 12.3188 8.96151 10.3214 3.63758 8.89047 13.2722 5.67204 6.11249 4.84988 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 9.48328 9.72788 9.02535 10.3214 3.63758 8.89003 13.2722 5.67204 7.86326 4.84988 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 8.15861 3.81285 6.67137 11.0683 6.35602 7.69926 7.46478 10.803 5.61151 10.7963 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 8.15861 6.17121 7.04244 11.0683 6.35602 5.85237 7.46478 10.803 6.54289 10.7963 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 8.15861 6.17121 7.04244 11.0683 6.35602 5.85237 12.9165 9.46256 7.52869 4.83769 numMergedOcc 0
6 mol 85 unq 3 iso 0 dist 8.15861 6.17121 7.04244 11.0683 6.35602 5.85237 12.359 6.34431 9.18945 6.24888 numMergedOcc 0
7 mol 85 unq 4 iso 0 dist 8.15861 6.17121 7.04244 12.9446 10.5854 9.11768 7.46478 10.803 6.54289 7.79293 numMergedOcc 0
8 mol 85 unq 5 iso 0 dist 8.15861 6.17121 7.04244 12.9446 10.5854 9.11768 12.9165 9.46256 7.52869 4.53268 numMergedOcc 0
9 mol 85 unq 6 iso 0 dist 8.15861 6.17121 7.04244 12.9446 10.5854 9.11768 12.359 6.34431 9.18945 6.09332 numMergedOcc 0
10 mol 111 unq 0 iso 0 dist 6.33923 5.56913 9.34782 7.42431 6.34994 5.98809 9.02541 11.4065 7.75479 7.59143 numMergedOcc 0
11 mol 113 unq 0 iso 0 dist 9.44 7.68828 4.49669 9.57352 6.54263 8.99912 6.32393 5.09579 5.45882 8.69934 numMergedOcc 0
12 mol 113 unq 1 iso 0 dist 8.47634 7.68828 5.88896 9.57352 3.92558 8.99912 6.32393 5.46299 5.45882 8.69934 numMergedOcc 0
13 mol 123 unq 0 iso 0 dist 9.72421 11.8396 8.03692 14.3936 12.5368 8.111 20.2487 14.0485 8.53618 12.8359 numMergedOcc 0
14 mol 123 unq 1 iso 0 dist 8.09682 3.61945 5.56127 9.99727 12.2105 8.111 11.5228 4.43225 8.53618 12.8359 numMergedOcc 0
15 mol 123 unq 2 iso 0 dist 8.35926 3.61945 8.03692 9.99727 12.5368 8.111 11.5228 14.0485 8.53618 12.8359 numMergedOcc 0
16 mol 123 unq 3 iso 0 dist 7.41568 3.61945 5.36214 9.99727 6.21159 8.111 11.5228 8.58632 8.53618 12.8359 numMergedOcc 0
17 mol 141 unq 0 iso 0 dist 7.53591 4.40012 5.60448 12.047 6.80544 9.3273 12.9661 9.53687 9.68074 4.29204 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 8.34503 3.48408 5.60448 12.2525 6.80544 9.3273 11.978 9.53687 9.68074 4.29204 numMergedOcc 0
19 mol 281 unq 0 iso 0 dist 7.43535 3.86368 7.90368 7.04661 12.8596 5.50053 10.7812 14.4804 9.94612 6.82073 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 8.4625 11.4589 4.68668 11.1697 3.65199 5.30118 15.272 8.99193 5.50067 7.23534 numMergedOcc 0
21 mol 287 unq 1 iso 0 dist 8.4625 11.4589 4.68668 12.4332 5.70614 8.98698 15.272 8.99193 5.50067 11.7115 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 8.4625 11.4589 4.68668 11.1697 3.65199 5.30118 15.272 8.99193 5.50067 7.23534 numMergedOcc 0
23 mol 288 unq 1 iso 0 dist 8.4625 11.4589 4.68668 12.4332 5.70614 8.98698 15.272 8.99193 5.50067 11.7115 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 8.4625 11.4589 4.68668 11.1697 3.65199 5.30118 15.272 8.99193 5.50067 7.23534 numMergedOcc 0
25 mol 289 unq 1 iso 0 dist 8.4625 11.4589 4.68668 12.4332 5.70614 8.98698 15.272 8.99193 5.50067 11.7115 numMergedOcc 0
