SCSD model generated from precomputed using D4h symmetry, available as HEM_pdb

Table 1; Model atom positions

xyzat
3.4229-0.0-0.0C
0.03.42290.0C
-3.42290.00.0C
0.0-3.4229-0.0C
2.77681.2168-0.0C
3.43322.4924-0.0C
2.49243.43320.0C
1.21682.77680.0C
2.65684.9540.0C
4.9542.6568-0.0C
-1.21682.77680.0C
-2.49243.43320.0C
-3.43322.49240.0C
-2.77681.21680.0C
-2.65684.9540.0C
-4.9542.65680.0C
-2.7768-1.21680.0C
-3.4332-2.49240.0C
-2.4924-3.4332-0.0C
-1.2168-2.7768-0.0C
-4.954-2.65680.0C
-2.6568-4.954-0.0C
1.2168-2.7768-0.0C
2.4924-3.4332-0.0C
3.4332-2.4924-0.0C
2.7768-1.2168-0.0C
2.6568-4.954-0.0C
4.954-2.6568-0.0C
0.00.00.0FE
1.41061.4106-0.0N
-1.41061.41060.0N
-1.4106-1.41060.0N
1.4106-1.4106-0.0N

Figure 2; Model atom positions and symmetry operations



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