0 mol 26 unq 0 iso 0 dist 6.89136 8.85591 7.13663 5.88467 11.2591 9.25649 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.89136 9.67576 12.6481 5.88467 11.2591 9.36104 numMergedOcc 0
2 mol 71 unq 0 iso 0 dist 7.35142 8.67545 7.04013 6.82169 10.0893 6.48531 numMergedOcc 0
3 mol 74 unq 0 iso 0 dist 9.99155 5.23115 4.79817 3.94075 8.96501 4.79413 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.09199 7.81334 9.19822 5.72925 11.0692 8.69209 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 5.9179 7.86269 8.89062 4.97513 8.39016 7.54496 numMergedOcc 0
6 mol 90 unq 1 iso 0 dist 9.34782 7.86269 10.1287 4.97513 6.99355 7.54496 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 5.49877 7.39532 5.97111 6.53156 6.89257 6.42785 numMergedOcc 0
8 mol 130 unq 1 iso 0 dist 5.49877 6.62468 6.97875 6.53156 6.89257 6.82089 numMergedOcc 0
9 mol 130 unq 2 iso 0 dist 5.49877 6.62468 6.97875 4.72188 8.74308 5.38314 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 5.86531 7.34386 8.6769 5.80615 7.92688 9.4062 numMergedOcc 0
11 mol 140 unq 0 iso 0 dist 9.6224 8.73523 8.63292 6.63467 10.2871 8.06396 numMergedOcc 0
12 mol 140 unq 1 iso 0 dist 9.6224 7.85653 5.11372 6.63467 10.2871 8.01587 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 6.23399 9.2042 6.55507 12.9483 13.3616 7.53158 numMergedOcc 0
14 mol 154 unq 1 iso 0 dist 6.23399 9.2042 6.55507 9.90775 11.2797 7.43407 numMergedOcc 0
15 mol 213 unq 0 iso 0 dist 7.88794 8.91912 5.84474 6.58235 4.26212 7.37935 numMergedOcc 0
16 mol 252 unq 0 iso 0 dist 6.1197 5.22349 6.66384 7.31906 12.1404 6.57207 numMergedOcc 0
17 mol 252 unq 1 iso 0 dist 6.1197 9.81593 14.2073 7.31906 12.1404 5.2361 numMergedOcc 0
18 mol 252 unq 2 iso 0 dist 6.1197 9.81593 14.2073 12.2338 16.782 5.57515 numMergedOcc 0
19 mol 252 unq 3 iso 0 dist 6.1197 9.81593 14.2073 14.2535 19.7033 8.28694 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 7.36905 8.28871 4.48907 9.63193 12.3016 9.42738 numMergedOcc 0
21 mol 264 unq 1 iso 0 dist 6.83408 8.28871 10.1591 9.63193 14.5867 9.42738 numMergedOcc 0
22 mol 270 unq 0 iso 0 dist 7.82003 4.95899 6.96493 5.90942 13.3424 7.89335 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 8.11838 5.70326 4.67953 7.49914 10.451 6.73126 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 7.88897 5.70326 8.29849 7.49914 12.2711 6.73126 numMergedOcc 0
