0 mol 34 unq 0 iso 0 dist 4.50643 4.30086 7.78892 11.0775 14.5506 6.87871 12.4634 13.4993 9.24927 8.95909 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 7.67459 9.69698 8.03754 8.58709 8.75469 9.74445 15.7652 14.0204 8.80331 10.323 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 7.67459 9.69698 8.03754 8.58709 8.75469 9.74445 15.8918 13.1056 6.20293 14.445 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.7939 10.3774 7.23812 12.1654 7.92924 6.89722 11.0108 12.8453 9.96396 10.4716 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 6.7939 10.3774 7.23812 12.1654 7.92924 6.89722 10.9082 9.59988 6.19304 5.2774 numMergedOcc 0
5 mol 73 unq 2 iso 0 dist 6.7939 10.3774 7.23812 12.1654 7.92924 6.89722 8.16299 7.80518 8.70481 13.9156 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 6.7939 10.3774 7.23812 7.02351 5.4653 7.26679 11.0108 12.8453 9.96396 8.31041 numMergedOcc 0
7 mol 73 unq 4 iso 0 dist 6.7939 10.3774 7.23812 7.02351 5.4653 7.26679 10.9082 9.59988 6.19304 5.44275 numMergedOcc 0
8 mol 73 unq 5 iso 0 dist 6.7939 10.3774 7.23812 7.02351 5.4653 7.26679 8.16299 7.80518 8.70481 11.2674 numMergedOcc 0
9 mol 73 unq 6 iso 0 dist 8.44695 12.6626 7.23812 15.154 7.92924 6.89722 20.562 12.8453 9.96396 10.4716 numMergedOcc 0
10 mol 73 unq 7 iso 0 dist 8.44695 12.6626 7.23812 15.154 7.92924 6.89722 17.327 9.59988 6.19304 5.2774 numMergedOcc 0
11 mol 73 unq 8 iso 0 dist 8.44695 12.6626 7.23812 15.154 7.92924 6.89722 8.27015 7.80518 8.70481 13.9156 numMergedOcc 0
12 mol 73 unq 9 iso 0 dist 8.44695 12.6626 7.23812 13.9009 5.4653 7.26679 20.562 12.8453 9.96396 8.31041 numMergedOcc 0
13 mol 73 unq 10 iso 0 dist 8.44695 12.6626 7.23812 13.9009 5.4653 7.26679 17.327 9.59988 6.19304 5.44275 numMergedOcc 0
14 mol 73 unq 11 iso 0 dist 8.44695 12.6626 7.23812 13.9009 5.4653 7.26679 8.27015 7.80518 8.70481 11.2674 numMergedOcc 0
15 mol 73 unq 12 iso 0 dist 5.68894 9.64124 7.23812 7.53504 7.92924 6.89722 16.3948 12.8453 9.96396 10.4716 numMergedOcc 0
16 mol 73 unq 13 iso 0 dist 5.68894 9.64124 7.23812 7.53504 7.92924 6.89722 11.801 9.59988 6.19304 5.2774 numMergedOcc 0
17 mol 73 unq 14 iso 0 dist 5.68894 9.64124 7.23812 7.53504 7.92924 6.89722 12.2721 7.80518 8.70481 13.9156 numMergedOcc 0
18 mol 73 unq 15 iso 0 dist 5.68894 9.64124 7.23812 8.66342 5.4653 7.26679 16.3948 12.8453 9.96396 8.31041 numMergedOcc 0
19 mol 73 unq 16 iso 0 dist 5.68894 9.64124 7.23812 8.66342 5.4653 7.26679 11.801 9.59988 6.19304 5.44275 numMergedOcc 0
20 mol 73 unq 17 iso 0 dist 5.68894 9.64124 7.23812 8.66342 5.4653 7.26679 12.2721 7.80518 8.70481 11.2674 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 9.27341 9.50073 8.41774 8.84852 7.53439 9.10619 15.3848 13.1435 8.56324 9.66339 numMergedOcc 0
22 mol 152 unq 1 iso 0 dist 9.27341 9.50073 8.41774 8.84852 7.53439 9.10619 16.0753 13.793 6.70283 13.9994 numMergedOcc 0
23 mol 152 unq 2 iso 0 dist 9.27341 9.50073 8.41774 8.84852 7.53439 9.10619 16.0158 11.2124 7.16148 14.2552 numMergedOcc 0
24 mol 220 unq 0 iso 0 dist 9.57625 13.0808 5.39218 15.6379 10.1832 7.31105 20.4393 13.3213 9.23153 14.6296 numMergedOcc 0
25 mol 220 unq 1 iso 0 dist 9.57625 13.0808 5.39218 15.6379 10.1832 7.31105 20.5878 11.4842 8.24498 9.52692 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 7.99609 5.01062 7.73634 7.10689 9.50337 8.7347 8.7419 4.81992 6.00706 8.81265 numMergedOcc 0
27 mol 222 unq 1 iso 0 dist 7.99609 5.01062 7.73634 7.10689 9.50337 8.7347 8.5834 9.69122 7.54212 4.28891 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 8.96263 11.9904 7.49783 18.2476 11.5364 6.56437 10.9817 12.8561 8.95269 14.2632 numMergedOcc 0
29 mol 224 unq 1 iso 0 dist 8.96263 11.9904 7.49783 14.6984 6.88745 6.23882 10.9817 12.8561 8.95269 15.0038 numMergedOcc 0
30 mol 224 unq 2 iso 0 dist 8.96263 11.9904 7.49783 15.6258 12.1666 9.53131 10.9817 12.8561 8.95269 9.59595 numMergedOcc 0
31 mol 224 unq 3 iso 0 dist 8.96263 11.9904 7.49783 9.06201 9.9943 9.34636 10.9817 12.8561 8.95269 5.63485 numMergedOcc 0
32 mol 248 unq 0 iso 0 dist 7.51278 5.68749 8.98788 7.83878 4.13513 7.66519 12.7933 9.01779 9.56569 6.42363 numMergedOcc 0
33 mol 258 unq 0 iso 0 dist 8.73425 5.13233 9.04358 6.59521 5.27718 8.58088 10.7821 8.81588 6.60405 10.221 numMergedOcc 0
34 mol 258 unq 1 iso 0 dist 8.73425 5.13233 9.04358 6.59521 5.27718 8.58088 8.21585 5.90131 6.42289 9.22664 numMergedOcc 0
35 mol 280 unq 0 iso 0 dist 6.38295 5.80223 7.96485 9.9227 11.4101 8.85762 8.80588 8.26589 6.0664 4.95798 numMergedOcc 0
