0 mol 98 unq 0 iso 0 dist 6.17173 8.77467 8.49806 5.37488 7.55531 10.5613 numMergedOcc 0
1 mol 113 unq 0 iso 0 dist 7.92498 4.28385 6.28645 9.25139 9.15172 6.25857 numMergedOcc 0
2 mol 141 unq 0 iso 0 dist 8.47476 5.41269 6.4822 6.35915 8.53875 7.41517 numMergedOcc 0
3 mol 173 unq 0 iso 0 dist 6.46871 13.656 8.91036 12.0398 9.9855 9.62833 numMergedOcc 0
4 mol 180 unq 0 iso 0 dist 8.6207 5.32285 8.65601 12.6732 9.26812 13.9919 numMergedOcc 0
5 mol 180 unq 1 iso 0 dist 8.6207 9.1825 6.33325 12.6732 9.26812 3.72291 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 6.22466 8.50695 5.39622 12.2795 8.52322 3.77738 numMergedOcc 0
7 mol 192 unq 0 iso 0 dist 6.88947 11.943 7.83389 10.8001 9.9224 5.56525 numMergedOcc 0
8 mol 209 unq 0 iso 0 dist 7.18 4.23435 9.53923 8.06378 9.39076 6.61665 numMergedOcc 0
9 mol 229 unq 0 iso 0 dist 4.38586 11.2221 8.17234 5.55716 9.33775 15.8841 numMergedOcc 0
10 mol 229 unq 1 iso 0 dist 9.40399 7.36484 8.17234 12.3748 9.33775 15.8841 numMergedOcc 0
11 mol 241 unq 0 iso 0 dist 8.6399 4.83968 9.23127 5.41529 7.44279 3.96997 numMergedOcc 0
12 mol 260 unq 0 iso 0 dist 7.46 4.12383 4.76689 7.3067 6.23198 5.42082 numMergedOcc 0
13 mol 260 unq 1 iso 0 dist 7.46 11.9912 8.79012 7.3067 6.23198 12.4464 numMergedOcc 0
14 mol 260 unq 2 iso 0 dist 6.71406 4.12383 7.26455 7.3067 8.82216 5.42082 numMergedOcc 0
15 mol 277 unq 0 iso 0 dist 6.58667 7.48053 5.83023 10.4217 9.027 4.09948 numMergedOcc 0
