0 mol 19 unq 0 iso 0 dist 6.8824 9.50382 4.55916 4.51869 8.75001 12.3973 11.8354 11.4946 9.69454 16.2245 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 9.79678 8.25984 4.64937 4.22382 8.84944 5.51659 6.92677 11.6604 9.81698 7.79998 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.66272 8.28883 13.2371 10.9256 9.53081 11.4224 5.72813 14.2615 7.54318 14.4215 numMergedOcc 0
3 mol 66 unq 0 iso 0 dist 9.03383 6.85819 5.49864 14.4123 8.68658 13.7823 6.43842 10.0378 9.37957 12.6737 numMergedOcc 0
4 mol 132 unq 0 iso 0 dist 7.73306 8.15549 5.6296 8.91031 6.94745 10.1299 10.469 12.118 7.70349 12.6948 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 7.4963 7.96689 7.52391 5.25819 8.8353 11.8747 11.9436 9.89098 9.48243 16.1558 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 7.74278 7.96689 7.72261 8.17831 5.79195 6.00667 11.9436 12.3165 9.48243 6.55423 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 8.54607 9.6582 7.72261 11.5137 5.79195 6.00667 16.3678 12.3165 9.48243 6.55423 numMergedOcc 0
8 mol 133 unq 3 iso 0 dist 8.54607 9.07294 16.2835 7.21249 9.23104 15.2961 13.1243 16.6279 8.84018 17.894 numMergedOcc 0
9 mol 133 unq 4 iso 0 dist 8.08807 7.96689 13.0543 8.17831 8.76088 6.00667 11.9436 11.5517 9.48243 6.55423 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 9.30469 6.21546 10.7476 4.40729 7.30813 9.56953 5.73338 9.09725 8.69888 4.51101 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 9.30469 6.03184 4.81365 4.40729 7.30813 5.25888 5.52686 10.6016 9.57611 5.34813 numMergedOcc 0
12 mol 175 unq 2 iso 0 dist 9.30469 6.03184 4.81365 4.40729 7.30813 5.25888 5.73338 9.09725 5.08206 4.51101 numMergedOcc 0
13 mol 182 unq 0 iso 0 dist 8.22267 8.94671 4.39505 9.4786 8.27913 8.63031 4.85077 9.36307 7.86625 8.27268 numMergedOcc 0
14 mol 206 unq 0 iso 0 dist 8.21649 7.65323 4.85877 9.10202 9.42047 8.75124 6.68626 10.8385 9.99185 4.47174 numMergedOcc 0
15 mol 206 unq 1 iso 0 dist 8.21649 7.65323 4.85877 9.10202 9.42047 8.75124 7.20088 7.0119 8.31638 4.1887 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 6.45234 9.17355 11.8854 5.9596 6.39087 12.8507 8.70715 7.30244 8.48112 12.2765 numMergedOcc 0
17 mol 223 unq 0 iso 0 dist 9.03969 7.57564 6.5658 12.4791 6.97426 11.4192 4.21803 7.34316 7.82697 8.64175 numMergedOcc 0
18 mol 223 unq 1 iso 0 dist 9.03969 7.57564 6.5658 16.4578 8.87456 13.9012 4.21803 7.34316 7.82697 12.9895 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 9.31156 7.62593 12.0777 6.16829 6.23677 12.4841 11.4653 12.2287 9.33771 12.8561 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 9.31156 7.62593 12.0777 6.16829 6.23677 12.4841 12.5358 15.1247 7.39839 15.8606 numMergedOcc 0
