0 mol 7 unq 0 iso 0 dist 9.60499 7.5706 10.5551 6.7985 6.55304 5.82034 8.43473 6.02702 6.04832 6.14469 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.60499 7.5706 10.5551 6.44736 12.2869 5.28462 8.43473 6.02702 6.04832 9.97009 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.41585 6.28925 10.6847 9.68596 14.7759 5.82034 5.03847 10.3148 6.04832 6.14469 numMergedOcc 0
3 mol 15 unq 0 iso 0 dist 8.38064 7.876 5.88545 7.48342 4.39605 6.25997 9.64147 12.4741 7.38744 10.4058 numMergedOcc 0
4 mol 15 unq 1 iso 0 dist 8.38064 7.876 5.88545 7.48342 4.39605 6.25997 4.29582 7.07399 9.41935 6.03257 numMergedOcc 0
5 mol 15 unq 2 iso 0 dist 9.97507 7.876 8.20465 7.48342 12.1303 6.25997 9.64147 13.6763 7.38744 10.4058 numMergedOcc 0
6 mol 15 unq 3 iso 0 dist 9.97507 7.876 8.20465 7.48342 12.1303 6.25997 4.29582 11.7302 9.41935 6.03257 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 6.83299 9.22021 8.17454 6.14538 4.29856 11.3729 9.96705 10.435 7.04671 13.4677 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 8.87449 4.5985 5.1283 7.80975 7.97897 4.71426 6.12107 12.0685 8.95014 12.71 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 8.87449 4.5985 5.1283 7.80975 7.97897 4.71426 5.42531 10.9242 6.84692 9.5057 numMergedOcc 0
10 mol 100 unq 2 iso 0 dist 8.87449 4.5985 5.1283 7.80975 7.97897 4.71426 4.86592 10.8527 5.74152 5.75014 numMergedOcc 0
11 mol 100 unq 3 iso 0 dist 7.17106 8.20656 8.07089 7.10378 10.6848 4.71426 12.5531 9.1361 8.95014 12.71 numMergedOcc 0
12 mol 100 unq 4 iso 0 dist 7.17106 8.20656 8.07089 7.10378 10.6848 4.71426 8.4128 7.01812 6.84692 9.5057 numMergedOcc 0
13 mol 100 unq 5 iso 0 dist 7.17106 8.20656 8.07089 7.10378 10.6848 4.71426 7.96533 10.4538 5.74152 5.75014 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 7.11802 9.64695 6.56917 9.22232 16.0138 15.8925 12.538 10.9061 6.49688 16.4974 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 7.11802 9.64695 6.56917 9.22661 5.92062 12.4336 12.538 10.9061 6.49688 16.5277 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 7.11802 9.64695 6.56917 7.56378 6.61891 9.98416 12.538 10.9061 6.49688 15.724 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 7.81386 8.47008 7.45927 5.94469 7.77758 11.0205 5.63555 10.4943 6.2176 10.3104 numMergedOcc 0
18 mol 181 unq 1 iso 0 dist 7.63312 8.47008 5.83639 5.94469 12.5387 11.0205 5.63555 5.9176 6.2176 10.3104 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 7.7366 5.52084 9.81596 6.16414 6.45859 9.78738 4.62682 11.6096 5.80674 10.7298 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 7.7366 5.52084 9.81596 7.33701 4.40897 7.21306 4.62682 11.6096 5.80674 10.985 numMergedOcc 0
21 mol 206 unq 2 iso 0 dist 7.7366 5.52084 9.81596 8.0871 7.62219 4.91529 4.62682 11.6096 5.80674 9.9584 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 8.34494 7.72403 10.3378 9.81425 4.3717 10.8078 13.8349 18.7983 9.38888 20.0705 numMergedOcc 0
23 mol 234 unq 1 iso 0 dist 6.56247 7.72403 8.83842 9.81425 4.46561 10.8078 13.8349 17.6227 9.38888 20.0705 numMergedOcc 0
24 mol 234 unq 2 iso 0 dist 9.36357 7.72403 5.43327 9.81425 10.641 10.8078 13.8349 12.6238 9.38888 20.0705 numMergedOcc 0
25 mol 273 unq 0 iso 0 dist 9.01049 9.82018 11.528 8.49177 9.25493 5.91142 4.60101 11.6152 6.83684 7.16346 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 7.56915 6.92434 5.87456 9.85289 6.20558 4.67674 5.29529 8.52587 5.0002 6.88827 numMergedOcc 0
27 mol 274 unq 1 iso 0 dist 8.49997 6.92434 8.58007 9.85289 11.4459 4.67674 5.29529 11.6126 5.0002 6.88827 numMergedOcc 0
