0 mol 11 unq 0 iso 0 dist 5.27762 5.90781 4.77508 8.06254 5.99293 6.06216 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.50287 6.46263 5.38429 5.0478 7.67964 7.21561 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 9.81202 7.3098 5.80382 8.22984 5.22561 6.8344 numMergedOcc 0
3 mol 100 unq 1 iso 0 dist 9.27056 9.90038 5.80382 6.6157 5.22561 6.8344 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 5.09936 9.66944 10.591 9.61913 12.2478 4.01954 numMergedOcc 0
5 mol 125 unq 0 iso 0 dist 6.65267 9.06392 9.1432 8.6317 12.3669 11.2575 numMergedOcc 0
6 mol 125 unq 1 iso 0 dist 6.55342 9.06392 6.82442 8.6317 7.21828 11.2575 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 8.43061 7.65424 12.4037 9.14007 12.0778 9.90045 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 8.43061 6.71654 6.32248 9.14007 12.0778 11.5448 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 4.31989 8.60512 6.48668 9.62783 8.10288 5.55502 numMergedOcc 0
10 mol 153 unq 0 iso 0 dist 6.81821 6.19646 10.4842 6.36853 7.49598 5.39952 numMergedOcc 0
11 mol 153 unq 1 iso 0 dist 6.81821 6.19646 10.4842 5.87327 7.74047 4.35422 numMergedOcc 0
12 mol 196 unq 0 iso 0 dist 7.18149 9.66622 5.64971 5.21339 9.26635 9.00319 numMergedOcc 0
13 mol 213 unq 0 iso 0 dist 8.17498 5.08722 12.0387 8.53661 6.76786 10.3831 numMergedOcc 0
14 mol 278 unq 0 iso 0 dist 7.38575 5.76372 8.56795 5.79682 3.5882 6.60208 numMergedOcc 0
15 mol 278 unq 1 iso 0 dist 7.38575 6.25295 7.47959 5.79682 3.5882 4.19643 numMergedOcc 0
16 mol 284 unq 0 iso 0 dist 9.40824 7.41633 14.126 5.61727 10.747 9.28495 numMergedOcc 0
17 mol 284 unq 1 iso 0 dist 9.40824 5.52837 9.97226 5.61727 10.747 7.85427 numMergedOcc 0
18 mol 284 unq 2 iso 0 dist 9.40824 6.73163 6.31116 5.61727 10.747 6.50224 numMergedOcc 0
19 mol 284 unq 3 iso 0 dist 6.1324 7.41633 12.8898 5.61727 7.95816 9.28495 numMergedOcc 0
20 mol 284 unq 4 iso 0 dist 6.1324 5.52837 9.53375 5.61727 7.95816 7.85427 numMergedOcc 0
21 mol 284 unq 5 iso 0 dist 6.1324 6.73163 7.08296 5.61727 7.95816 6.50224 numMergedOcc 0
