0 mol 28 unq 0 iso 0 dist 8.24422 5.75809 8.89273 6.51818 9.4148 9.2146 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.99724 5.75809 8.10455 6.51818 6.87842 9.2146 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 8.76925 8.82943 13.1234 9.04728 8.61287 15.9379 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 8.76925 8.82943 13.1234 11.4523 7.92518 15.8404 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 7.67459 7.80117 3.83842 9.50501 6.57633 10.2266 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 7.62469 9.79386 10.7481 4.9903 8.21247 12.649 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 8.5614 4.93944 6.1672 9.88447 7.95751 9.5889 numMergedOcc 0
7 mol 141 unq 1 iso 0 dist 8.5614 4.93944 6.1672 8.09962 5.39002 8.03978 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 9.61 8.92048 3.7035 4.21146 8.0732 7.7464 numMergedOcc 0
9 mol 147 unq 1 iso 0 dist 9.61 8.92048 3.7035 8.49014 5.93918 5.12272 numMergedOcc 0
10 mol 172 unq 0 iso 0 dist 4.90175 7.3485 7.16279 9.2371 8.03455 12.9435 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 7.6409 7.62945 5.28021 9.55695 6.84679 9.34653 numMergedOcc 0
12 mol 210 unq 0 iso 0 dist 8.94889 8.44451 7.85817 10.3044 7.80421 14.4693 numMergedOcc 0
13 mol 210 unq 1 iso 0 dist 8.94889 8.44451 7.85817 4.3844 9.71107 10.1018 numMergedOcc 0
14 mol 210 unq 2 iso 0 dist 8.94889 8.44451 7.85817 6.85132 9.7449 9.07117 numMergedOcc 0
15 mol 243 unq 0 iso 0 dist 8.1195 7.6142 13.8942 8.8719 8.89434 11.0685 numMergedOcc 0
16 mol 249 unq 0 iso 0 dist 5.70674 5.7671 4.49386 6.46947 8.56493 11.0585 numMergedOcc 0
17 mol 281 unq 0 iso 0 dist 7.76659 9.04679 6.93787 6.33695 8.40612 11.4417 numMergedOcc 0
18 mol 281 unq 1 iso 0 dist 6.47753 9.49871 4.93084 12.3104 8.90116 11.0243 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 6.93798 9.33601 7.97597 5.83652 5.32876 11.5443 numMergedOcc 0
20 mol 283 unq 1 iso 0 dist 6.93798 9.33601 7.97597 5.99759 7.60296 11.6249 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 8.56533 8.09613 12.5011 9.26749 8.43856 15.1546 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 8.56533 8.09613 12.5011 9.26749 8.43856 15.1546 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 8.56533 8.09613 12.5011 9.26749 8.43856 15.1546 numMergedOcc 0
