0 mol 28 unq 0 iso 0 dist 9.86409 5.75809 7.57437 11.6229 15.6492 8.79638 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.86409 5.75809 7.57437 8.39028 9.83454 6.42785 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 6.67704 6.93709 3.28726 5.43691 6.67079 6.38271 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 6.67079 6.38271 3.28726 5.43691 6.67704 6.93709 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 8.71284 7.07773 9.10687 7.67336 11.8292 9.48195 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.74005 7.80117 5.29574 7.90905 11.8355 9.79386 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 5.81645 9.80946 12.6428 7.82906 12.9147 5.89913 numMergedOcc 0
7 mol 44 unq 1 iso 0 dist 6.75026 9.80946 8.28169 7.82906 10.6308 5.89913 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 9.93628 7.05964 7.17582 16.4417 13.2474 9.90758 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 6.04768 8.73798 10.256 5.4823 9.40173 5.24616 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 9.40173 5.24616 10.256 5.4823 6.04768 8.73798 numMergedOcc 0
11 mol 116 unq 0 iso 0 dist 8.89769 6.82267 7.93893 8.32683 10.8433 7.70636 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 6.87196 8.12319 3.88766 13.7304 12.3159 9.04366 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 7.43112 9.3873 3.69477 6.75379 6.09693 9.66726 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 6.09693 9.66726 3.69477 6.75379 7.43112 9.3873 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 5.76862 6.1247 4.03185 11.6042 9.7931 8.23311 numMergedOcc 0
16 mol 154 unq 1 iso 0 dist 5.92763 6.1247 9.94519 11.6042 13.8939 8.23311 numMergedOcc 0
17 mol 181 unq 0 iso 0 dist 5.25309 7.39733 3.63671 8.46989 10.1186 8.74268 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 9.819 7.31316 7.29209 15.6462 13.6378 8.9865 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 8.06003 5.04072 8.44353 8.85948 16.5814 9.531 numMergedOcc 0
