0 mol 43 unq 0 iso 0 dist 8.58709 7.67459 8.75469 9.69698 9.74445 8.03754 15.7652 10.323 14.0204 8.80331 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.58709 7.67459 8.75469 9.69698 9.74445 8.03754 15.8918 14.445 13.1056 6.20293 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.02351 6.7939 5.4653 10.3774 7.26679 7.23812 11.0108 8.31041 12.8453 9.96396 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 7.02351 6.7939 5.4653 10.3774 7.26679 7.23812 10.9082 5.44275 9.59988 6.19304 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 7.02351 6.7939 5.4653 10.3774 7.26679 7.23812 8.16299 11.2674 7.80518 8.70481 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 7.53504 5.68894 7.92924 9.64124 6.89722 7.23812 16.3948 10.4716 12.8453 9.96396 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 7.53504 5.68894 7.92924 9.64124 6.89722 7.23812 11.801 5.2774 9.59988 6.19304 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 7.53504 5.68894 7.92924 9.64124 6.89722 7.23812 12.2721 13.9156 7.80518 8.70481 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 8.66342 5.68894 5.4653 9.64124 7.26679 7.23812 16.3948 8.31041 12.8453 9.96396 numMergedOcc 0
9 mol 73 unq 7 iso 0 dist 8.66342 5.68894 5.4653 9.64124 7.26679 7.23812 11.801 5.44275 9.59988 6.19304 numMergedOcc 0
10 mol 73 unq 8 iso 0 dist 8.66342 5.68894 5.4653 9.64124 7.26679 7.23812 12.2721 11.2674 7.80518 8.70481 numMergedOcc 0
11 mol 73 unq 9 iso 0 dist 7.21285 5.68894 7.09483 9.64124 10.1503 7.23812 16.3948 11.7069 12.8453 9.96396 numMergedOcc 0
12 mol 73 unq 10 iso 0 dist 7.21285 5.68894 7.09483 9.64124 10.1503 7.23812 11.801 8.0624 9.59988 6.19304 numMergedOcc 0
13 mol 73 unq 11 iso 0 dist 7.21285 5.68894 7.09483 9.64124 10.1503 7.23812 12.2721 14.5102 7.80518 8.70481 numMergedOcc 0
14 mol 73 unq 12 iso 0 dist 6.95094 5.68894 11.341 9.64124 14.918 7.23812 16.3948 18.994 12.8453 9.96396 numMergedOcc 0
15 mol 73 unq 13 iso 0 dist 6.95094 5.68894 11.341 9.64124 14.918 7.23812 11.801 14.4844 9.59988 6.19304 numMergedOcc 0
16 mol 73 unq 14 iso 0 dist 6.95094 5.68894 11.341 9.64124 14.918 7.23812 12.2721 18.8474 7.80518 8.70481 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 6.89564 9.82274 5.32245 15.3123 13.1006 9.1146 19.9663 15.4945 11.0256 7.11802 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 8.84852 9.27341 7.53439 9.50073 9.10619 8.41774 15.3848 9.66339 13.1435 8.56324 numMergedOcc 0
19 mol 152 unq 1 iso 0 dist 8.84852 9.27341 7.53439 9.50073 9.10619 8.41774 16.0753 13.9994 13.793 6.70283 numMergedOcc 0
20 mol 152 unq 2 iso 0 dist 8.84852 9.27341 7.53439 9.50073 9.10619 8.41774 16.0158 14.2552 11.2124 7.16148 numMergedOcc 0
21 mol 209 unq 0 iso 0 dist 7.757 8.8886 8.13817 11.2558 15.6294 9.62543 10.795 11.9895 8.42394 7.56373 numMergedOcc 0
22 mol 209 unq 1 iso 0 dist 9.56015 8.78565 8.13817 12.9345 15.6294 9.62543 14.4808 11.9895 8.42394 7.56373 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 9.56271 9.57625 13.0906 13.0808 17.4342 5.39218 20.4393 26.2492 13.3213 9.23153 numMergedOcc 0
24 mol 220 unq 1 iso 0 dist 9.56271 9.57625 13.0906 13.0808 17.4342 5.39218 20.5878 22.4037 11.4842 8.24498 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 7.10689 7.99609 9.50337 5.01062 8.7347 7.73634 8.7419 8.81265 4.81992 6.00706 numMergedOcc 0
26 mol 222 unq 1 iso 0 dist 7.10689 7.99609 9.50337 5.01062 8.7347 7.73634 8.5834 4.28891 9.69122 7.54212 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 9.06201 8.96263 9.9943 11.9904 9.34636 7.49783 10.9817 5.63485 12.8561 8.95269 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 7.83878 7.51278 4.13513 5.68749 7.66519 8.98788 12.7933 6.42363 9.01779 9.56569 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 6.59521 8.73425 5.27718 5.13233 8.58088 9.04358 10.7821 10.221 8.81588 6.60405 numMergedOcc 0
30 mol 258 unq 1 iso 0 dist 6.59521 8.73425 5.27718 5.13233 8.58088 9.04358 8.21585 9.22664 5.90131 6.42289 numMergedOcc 0
31 mol 273 unq 0 iso 0 dist 9.36052 7.85797 5.78379 6.69098 12.8035 9.37841 13.6003 14.1076 9.71586 9.01049 numMergedOcc 0
32 mol 280 unq 0 iso 0 dist 9.047 6.38295 14.0927 8.30978 16.7212 5.41639 8.80588 14.1091 8.26589 6.53701 numMergedOcc 0
33 mol 280 unq 1 iso 0 dist 9.047 6.38295 14.0927 5.80223 13.1827 7.96485 8.80588 14.1091 8.26589 6.0664 numMergedOcc 0
34 mol 280 unq 2 iso 0 dist 9.9227 6.38295 11.4101 8.30978 11.1402 5.41639 8.80588 4.95798 8.26589 6.53701 numMergedOcc 0
35 mol 280 unq 3 iso 0 dist 9.9227 6.38295 11.4101 5.80223 8.85762 7.96485 8.80588 4.95798 8.26589 6.0664 numMergedOcc 0
