0 mol 25 unq 0 iso 0 dist 8.88413 7.05148 5.30154 5.30126 6.22122 8.00738 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.87281 7.05148 5.64303 5.30126 12.8488 8.00738 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 7.63928 7.05148 5.82503 5.30126 10.5677 8.00738 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 9.44909 9.45566 4.55437 9.70501 9.34889 5.81645 numMergedOcc 0
4 mol 54 unq 0 iso 0 dist 5.97635 4.38047 4.29856 12.1383 10.042 9.20373 numMergedOcc 0
5 mol 74 unq 0 iso 0 dist 9.99155 7.26263 8.1988 6.2954 14.0363 9.52363 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 8.58841 7.75211 4.3931 13.4991 5.56964 9.61367 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 7.91337 8.4733 5.92984 9.90172 12.9497 8.05937 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 6.40546 8.4733 7.45148 9.90172 7.85527 8.05937 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 6.23399 5.60184 7.51976 5.55349 10.0704 5.76862 numMergedOcc 0
10 mol 154 unq 1 iso 0 dist 6.23399 7.08477 7.23684 5.55349 10.0704 5.92763 numMergedOcc 0
11 mol 175 unq 0 iso 0 dist 8.58906 7.42278 7.68909 9.47052 15.8823 9.92784 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.58911 5.66363 11.85 7.56512 6.58792 9.99409 numMergedOcc 0
13 mol 232 unq 0 iso 0 dist 7.70279 9.41148 6.2188 5.18593 8.89211 6.71099 numMergedOcc 0
14 mol 232 unq 1 iso 0 dist 9.29752 9.41148 12.5452 5.18593 13.0468 6.71099 numMergedOcc 0
15 mol 267 unq 0 iso 0 dist 9.62043 9.80577 8.37094 5.59194 9.55141 5.32817 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 7.26542 8.42076 13.2859 9.43796 12.4366 8.53802 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 7.26542 8.42076 13.2859 9.43796 12.4366 8.53802 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 7.26542 8.42076 13.2859 9.43796 12.4366 8.53802 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 9.64124 6.68863 4.24885 4.41308 12.5859 9.55425 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 9.30668 6.68863 7.15683 4.41308 10.7927 9.55425 numMergedOcc 0
