0 mol 6 unq 0 iso 0 dist 9.47965 16.4452 9.97675 18.2263 10.9656 6.70505 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 9.03144 5.80429 8.89682 9.78532 8.39998 6.76514 numMergedOcc 0
2 mol 37 unq 0 iso 0 dist 7.7568 5.49728 5.98359 6.69711 9.08524 9.98549 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 8.92255 4.73293 9.69751 10.9754 5.42703 9.76145 numMergedOcc 0
4 mol 86 unq 0 iso 0 dist 8.43093 4.2645 8.63569 6.94997 5.04401 8.24791 numMergedOcc 0
5 mol 88 unq 0 iso 0 dist 9.4046 7.17073 6.41105 6.98838 6.64721 9.0321 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 9.93688 13.3114 4.85152 11.2639 6.12826 7.36397 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 9.93688 13.3114 4.85152 7.57958 5.02124 6.58062 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 9.88184 13.3931 4.85152 14.5144 6.12826 7.36397 numMergedOcc 0
9 mol 92 unq 3 iso 0 dist 9.88184 13.3931 4.85152 10.8442 5.02124 6.58062 numMergedOcc 0
10 mol 99 unq 0 iso 0 dist 5.33644 5.36117 8.23566 4.74654 5.17028 8.86001 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.39253 7.49885 7.26463 13.4558 7.20747 8.05492 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 8.89412 10.3282 7.8034 12.5712 5.53162 6.66749 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 6.13872 7.56512 8.03259 8.45395 9.80135 9.30874 numMergedOcc 0
14 mol 181 unq 1 iso 0 dist 6.13872 7.56512 8.03259 5.41368 4.97806 5.54873 numMergedOcc 0
15 mol 211 unq 0 iso 0 dist 7.38723 9.04294 7.73993 16.421 11.7695 9.62163 numMergedOcc 0
16 mol 211 unq 1 iso 0 dist 7.38723 9.04294 7.73993 14.9925 9.96364 8.48297 numMergedOcc 0
17 mol 219 unq 0 iso 0 dist 9.52151 6.28221 7.98941 7.15624 10.277 9.69976 numMergedOcc 0
18 mol 232 unq 0 iso 0 dist 6.11539 5.10642 4.46314 13.521 10.5464 8.94854 numMergedOcc 0
19 mol 232 unq 1 iso 0 dist 9.71082 6.19573 4.46314 10.9614 10.5464 8.94854 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 8.68803 4.53635 8.01565 5.66792 7.4709 6.31114 numMergedOcc 0
21 mol 270 unq 0 iso 0 dist 6.72681 9.8347 7.65449 15.618 10.5844 7.06085 numMergedOcc 0
22 mol 274 unq 0 iso 0 dist 8.26851 8.77987 7.24089 8.62431 4.05661 9.89613 numMergedOcc 0
