0 mol 26 unq 0 iso 0 dist 7.98958 5.2549 9.15677 11.9393 16.4682 8.34347 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 5.87251 10.3283 9.16827 10.9711 7.23774 5.73819 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 5.87251 10.3283 9.16827 14.9853 12.092 6.20293 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 5.87251 10.3283 9.16827 15.5275 10.7423 8.93915 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 7.81257 5.84171 9.16827 6.84521 7.23774 5.73819 numMergedOcc 0
5 mol 43 unq 4 iso 0 dist 7.81257 5.84171 9.16827 8.90024 12.092 6.20293 numMergedOcc 0
6 mol 43 unq 5 iso 0 dist 7.81257 5.84171 9.16827 6.78532 10.7423 8.93915 numMergedOcc 0
7 mol 51 unq 0 iso 0 dist 9.53744 6.57102 7.7625 6.67213 5.8664 9.0709 numMergedOcc 0
8 mol 61 unq 0 iso 0 dist 7.20998 6.53977 9.99643 5.50504 8.2572 6.72123 numMergedOcc 0
9 mol 66 unq 0 iso 0 dist 7.59498 9.87898 7.69019 11.9553 5.89221 8.96624 numMergedOcc 0
10 mol 70 unq 0 iso 0 dist 9.28709 5.33532 9.74268 6.77833 6.95018 9.65964 numMergedOcc 0
11 mol 86 unq 0 iso 0 dist 5.37706 7.09012 7.26032 11.065 5.91309 9.5497 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 7.03206 4.88441 7.80643 10.0247 6.52984 7.44554 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 6.58684 4.91992 8.50904 11.3307 8.09861 9.0018 numMergedOcc 0
14 mol 175 unq 1 iso 0 dist 6.58684 4.91992 8.50904 10.6356 10.1323 7.652 numMergedOcc 0
15 mol 175 unq 2 iso 0 dist 6.58684 7.91395 7.04318 11.3307 8.09861 5.6234 numMergedOcc 0
16 mol 175 unq 3 iso 0 dist 6.58684 7.91395 7.04318 10.6356 10.1323 9.92231 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 9.71689 10.1816 7.92766 16.343 14.0488 7.10633 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 9.71689 10.1816 7.92766 15.9775 7.58285 8.51516 numMergedOcc 0
19 mol 214 unq 0 iso 0 dist 8.61758 4.7088 8.3035 9.0058 6.23589 8.82096 numMergedOcc 0
20 mol 214 unq 1 iso 0 dist 5.45548 4.7088 9.01896 9.0058 7.3913 8.82096 numMergedOcc 0
21 mol 241 unq 0 iso 0 dist 9.55401 5.50714 8.62971 8.23536 4.99503 7.4631 numMergedOcc 0
22 mol 248 unq 0 iso 0 dist 8.2748 6.86606 8.34646 7.40475 6.21372 8.2965 numMergedOcc 0
23 mol 253 unq 0 iso 0 dist 5.85222 12.3321 7.0247 15.7191 10.9027 9.02271 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 8.76413 5.0721 5.69465 10.0145 8.46956 8.2734 numMergedOcc 0
