0 mol 10 unq 0 iso 0 dist 7.99404 8.95503 5.30796 3.5691 6.68744 6.50154 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 6.34078 6.94351 5.29167 14.6444 10.2682 7.92479 numMergedOcc 0
2 mol 59 unq 1 iso 0 dist 6.34078 6.94351 5.29167 12.5693 12.7233 7.86646 numMergedOcc 0
3 mol 65 unq 0 iso 0 dist 9.57525 6.97879 7.15449 9.72356 15.4863 8.52805 numMergedOcc 0
4 mol 65 unq 1 iso 0 dist 9.06948 8.56202 7.15449 13.0357 15.4863 8.52805 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 9.06225 6.57826 7.43853 4.81015 12.5457 6.92381 numMergedOcc 0
6 mol 88 unq 0 iso 0 dist 9.47957 6.98838 5.71776 3.48087 10.4138 6.1847 numMergedOcc 0
7 mol 88 unq 1 iso 0 dist 9.47957 6.98838 5.71776 10.0091 9.93225 4.70557 numMergedOcc 0
8 mol 88 unq 2 iso 0 dist 9.4046 6.98838 6.64721 3.48087 9.27633 6.1847 numMergedOcc 0
9 mol 88 unq 3 iso 0 dist 9.4046 6.98838 6.64721 10.0091 9.43062 4.70557 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 9.93688 7.57958 5.02124 14.5838 7.36335 7.03417 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 6.81489 8.0578 9.30367 6.92687 13.4788 9.86985 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 6.13872 5.41368 4.97806 3.55808 6.19329 7.61421 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 6.50727 8.32685 5.92782 11.8425 12.4886 9.6071 numMergedOcc 0
14 mol 197 unq 1 iso 0 dist 6.50727 8.32685 5.92782 12.2163 14.5829 9.77656 numMergedOcc 0
15 mol 197 unq 2 iso 0 dist 7.84826 6.74777 5.92782 10.0045 14.5829 9.77656 numMergedOcc 0
16 mol 197 unq 3 iso 0 dist 7.84826 6.74777 5.92782 13.1467 12.4886 9.6071 numMergedOcc 0
17 mol 197 unq 4 iso 0 dist 7.56537 9.62514 10.1284 8.82321 7.06868 9.77656 numMergedOcc 0
18 mol 197 unq 5 iso 0 dist 7.56537 9.62514 10.1284 15.1287 14.5771 9.6071 numMergedOcc 0
19 mol 197 unq 6 iso 0 dist 9.89975 9.62514 16.3081 8.82321 13.0452 9.77656 numMergedOcc 0
20 mol 197 unq 7 iso 0 dist 9.89975 9.62514 16.3081 15.1287 21.5132 9.6071 numMergedOcc 0
21 mol 212 unq 0 iso 0 dist 9.89938 9.15316 5.8232 8.689 11.3345 6.07371 numMergedOcc 0
22 mol 212 unq 1 iso 0 dist 9.89938 9.15316 5.8232 12.2861 13.7006 7.98532 numMergedOcc 0
23 mol 232 unq 0 iso 0 dist 7.99525 7.79085 5.30261 13.7353 13.7741 8.49913 numMergedOcc 0
24 mol 232 unq 1 iso 0 dist 9.20965 6.48753 5.30261 10.1969 13.7741 8.49913 numMergedOcc 0
25 mol 234 unq 0 iso 0 dist 8.38742 7.19662 4.69096 9.98235 9.2653 7.35086 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 8.68803 5.66792 7.4709 6.29809 11.1939 6.16848 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 7.97113 8.46351 11.1732 9.58753 8.75224 9.61028 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 5.22111 8.46351 9.53336 9.58753 10.8735 9.61028 numMergedOcc 0
