0 mol 54 unq 0 iso 0 dist 4.22514 10.5752 8.34361 9.45804 6.10175 4.94741 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 9.62215 5.87879 8.14267 3.7562 8.12966 2.12858 numMergedOcc 0
2 mol 74 unq 0 iso 0 dist 7.28327 5.8659 9.33277 8.38814 9.50176 7.81335 numMergedOcc 0
3 mol 74 unq 1 iso 0 dist 7.28327 5.8659 9.33277 8.4776 7.56791 10.8158 numMergedOcc 0
4 mol 78 unq 0 iso 0 dist 8.06502 10.8072 6.04611 13.4735 9.68277 7.25142 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 8.04064 12.3359 9.56911 6.18091 8.39015 6.91704 numMergedOcc 0
6 mol 90 unq 1 iso 0 dist 8.04064 10.9311 7.68053 6.18091 8.39015 7.84652 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 9.0584 16.82 8.04448 6.06642 3.59451 10.9027 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.85783 11.6695 8.41491 8.6248 9.36989 11.3245 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 5.85783 11.6695 8.41491 5.52318 8.6728 11.1197 numMergedOcc 0
10 mol 99 unq 0 iso 0 dist 8.6659 10.8621 7.09617 7.05715 8.23566 6.9006 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 5.37345 8.68687 9.79739 7.24416 8.28948 4.84829 numMergedOcc 0
12 mol 212 unq 0 iso 0 dist 9.88141 5.1735 8.85976 7.4422 6.41916 5.08998 numMergedOcc 0
13 mol 229 unq 0 iso 0 dist 9.69083 6.27841 9.33775 5.0114 8.86628 8.62656 numMergedOcc 0
14 mol 258 unq 0 iso 0 dist 6.81635 3.89286 5.53473 3.7042 9.26487 5.62491 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 5.80603 6.00285 5.16838 10.7991 7.4294 5.45575 numMergedOcc 0
16 mol 259 unq 1 iso 0 dist 5.80603 6.00285 5.16838 9.29663 8.37253 10.6997 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 7.86884 4.23871 6.8693 7.21548 9.30966 7.3279 numMergedOcc 0
18 mol 274 unq 1 iso 0 dist 7.86884 4.23871 6.8693 8.92279 5.38704 8.62596 numMergedOcc 0
19 mol 274 unq 2 iso 0 dist 7.86884 4.23871 6.8693 14.4918 8.05503 13.2785 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 5.90003 6.72238 7.67032 11.9206 7.88102 15.5265 numMergedOcc 0
21 mol 279 unq 1 iso 0 dist 5.90003 6.72238 7.67032 9.54906 7.93694 14.5929 numMergedOcc 0
22 mol 280 unq 0 iso 0 dist 7.11605 4.35391 4.26671 11.1583 9.047 10.0698 numMergedOcc 0
23 mol 280 unq 1 iso 0 dist 7.11605 4.35391 4.26671 15.3737 9.9227 11.2544 numMergedOcc 0
24 mol 283 unq 0 iso 0 dist 7.11407 3.85698 9.69083 10.6738 6.15136 12.4856 numMergedOcc 0
25 mol 283 unq 1 iso 0 dist 7.11407 7.85589 5.96202 10.6738 6.15136 5.49773 numMergedOcc 0
26 mol 283 unq 2 iso 0 dist 7.11407 10.1709 9.55068 10.6738 6.15136 5.8402 numMergedOcc 0
