0 mol 25 unq 0 iso 0 dist 7.03345 5.46378 11.2386 9.41386 13.7907 4.48883 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 7.03345 5.46378 11.2386 4.71964 4.4386 7.1845 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 7.03345 5.46378 11.2386 6.58478 5.93497 9.01438 numMergedOcc 0
3 mol 25 unq 3 iso 0 dist 5.2296 5.46378 9.66509 9.41386 12.4749 4.48883 numMergedOcc 0
4 mol 25 unq 4 iso 0 dist 5.2296 5.46378 9.66509 4.71964 5.82028 7.1845 numMergedOcc 0
5 mol 25 unq 5 iso 0 dist 5.2296 5.46378 9.66509 6.58478 3.8794 9.01438 numMergedOcc 0
6 mol 32 unq 0 iso 0 dist 8.48238 4.31912 4.57338 9.16481 3.95884 6.49199 numMergedOcc 0
7 mol 34 unq 0 iso 0 dist 8.35897 8.23162 4.39214 7.61802 7.40103 10.7745 numMergedOcc 0
8 mol 34 unq 1 iso 0 dist 8.35897 6.57908 4.76457 7.61802 7.40103 4.22398 numMergedOcc 0
9 mol 34 unq 2 iso 0 dist 9.78064 6.31824 4.948 8.87762 6.75665 4.53851 numMergedOcc 0
10 mol 34 unq 3 iso 0 dist 9.78064 6.31824 4.948 8.21762 9.29169 5.31195 numMergedOcc 0
11 mol 105 unq 0 iso 0 dist 4.27293 7.07825 5.03194 9.93514 6.54684 6.31031 numMergedOcc 0
12 mol 105 unq 1 iso 0 dist 4.27293 7.07825 5.03194 7.85265 6.79366 4.67929 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 9.92707 9.47487 10.6459 5.65314 8.86998 12.627 numMergedOcc 0
14 mol 197 unq 1 iso 0 dist 6.22734 9.47487 10.8745 5.65314 3.35829 12.627 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 8.48738 4.90724 5.14615 6.20862 6.83312 3.92979 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 8.621 9.16822 5.21366 9.48525 12.7959 10.774 numMergedOcc 0
17 mol 233 unq 0 iso 0 dist 6.25959 9.13657 10.3247 7.79426 4.74962 6.80416 numMergedOcc 0
18 mol 243 unq 0 iso 0 dist 6.77411 9.8043 15.4195 5.91328 6.87269 10.106 numMergedOcc 0
19 mol 243 unq 1 iso 0 dist 6.77411 9.8043 15.4195 6.02146 4.4421 13.3706 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 5.72892 8.76664 4.85514 7.97307 6.55333 10.5402 numMergedOcc 0
21 mol 260 unq 1 iso 0 dist 5.72892 8.76664 4.85514 8.52702 7.3298 5.63077 numMergedOcc 0
22 mol 260 unq 2 iso 0 dist 5.72892 9.00987 13.212 7.97307 6.55333 15.2375 numMergedOcc 0
23 mol 260 unq 3 iso 0 dist 5.72892 9.00987 13.212 8.52702 7.3298 12.2431 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 4.98594 8.93824 8.1973 8.6959 9.01836 4.41057 numMergedOcc 0
25 mol 266 unq 1 iso 0 dist 4.98594 6.1432 8.46837 8.6959 9.01836 6.59398 numMergedOcc 0
26 mol 270 unq 0 iso 0 dist 6.17797 9.4555 7.58893 9.34963 4.67018 4.4142 numMergedOcc 0
