0 mol 32 unq 0 iso 0 dist 4.31912 4.3421 7.88576 10.2135 8.68559 14.4244 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 8.62501 6.90675 8.68726 5.83686 8.24062 10.8906 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 8.79724 13.2676 9.30724 15.6816 8.39016 9.43289 numMergedOcc 0
3 mol 90 unq 1 iso 0 dist 8.79724 13.2676 9.30724 10.7007 6.99355 3.97343 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 8.55666 5.68158 5.44714 8.10801 6.81812 5.19652 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 8.45284 7.62483 5.44714 6.95438 6.81812 5.19652 numMergedOcc 0
6 mol 113 unq 2 iso 0 dist 7.77845 12.0928 5.44714 11.224 6.81812 5.19652 numMergedOcc 0
7 mol 113 unq 3 iso 0 dist 9.43828 5.9573 5.44714 9.14701 6.81812 5.19652 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 8.50045 4.64006 7.50886 10.0998 6.73814 9.09179 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 9.31512 10.6057 9.78437 6.6622 6.96442 7.6321 numMergedOcc 0
10 mol 114 unq 2 iso 0 dist 8.40088 6.20538 9.78437 4.61737 6.96442 7.6321 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 6.96357 4.36058 8.0578 7.23362 7.20326 11.1675 numMergedOcc 0
12 mol 117 unq 1 iso 0 dist 6.96357 9.75214 8.78982 7.23362 7.20326 6.7814 numMergedOcc 0
13 mol 194 unq 0 iso 0 dist 7.62634 13.7534 7.52171 5.69334 6.47873 10.2633 numMergedOcc 0
14 mol 194 unq 1 iso 0 dist 7.62634 13.7534 7.52171 13.4175 8.38695 4.57265 numMergedOcc 0
15 mol 197 unq 0 iso 0 dist 9.47487 16.7164 8.32685 17.6057 8.99696 10.5326 numMergedOcc 0
16 mol 197 unq 1 iso 0 dist 9.47487 16.2207 6.74777 17.6057 8.99696 5.29309 numMergedOcc 0
17 mol 197 unq 2 iso 0 dist 9.47487 18.5581 9.62514 17.6057 8.99696 4.57437 numMergedOcc 0
18 mol 233 unq 0 iso 0 dist 9.13657 6.03685 7.83363 11.1704 9.43203 12.3957 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 6.21984 5.8014 9.88122 6.2683 6.91569 11.9794 numMergedOcc 0
20 mol 243 unq 0 iso 0 dist 9.8043 14.1451 8.53888 10.2118 8.61104 10.3202 numMergedOcc 0
21 mol 243 unq 1 iso 0 dist 9.8043 17.3776 9.46855 10.2118 8.61104 10.1405 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 9.19369 6.38531 9.53092 5.07898 7.48005 4.77548 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 9.19369 6.38531 9.53092 15.9608 8.37865 12.7699 numMergedOcc 0
24 mol 264 unq 0 iso 0 dist 6.61098 6.06394 6.21206 15.2943 9.5784 11.2529 numMergedOcc 0
25 mol 264 unq 1 iso 0 dist 6.25794 6.73127 6.21206 12.3535 9.5784 11.2529 numMergedOcc 0
