HEADER PROTEIN 23-JUN-17 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-JUN-17 0 HETATM 1 C UNK 0 -3.334 0.193 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -2.001 0.963 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.667 0.193 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 0.667 0.963 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 2.001 0.192 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 2.001 -1.348 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 0.667 -2.117 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.667 -1.347 0.000 0.00 0.00 C+0 HETATM 9 N UNK 0 -2.001 -2.117 0.000 0.00 0.00 N+0 HETATM 10 C UNK 0 -3.334 -1.348 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 0.667 -3.657 0.000 0.00 0.00 O+0 HETATM 12 I UNK 0 3.334 -2.118 0.000 0.00 0.00 I+0 HETATM 13 S UNK 0 0.667 2.503 0.000 0.00 0.00 S+0 HETATM 14 O UNK 0 0.667 4.043 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 2.207 2.502 0.000 0.00 0.00 O+0 HETATM 16 O UNK 0 -0.873 2.503 0.000 0.00 0.00 O+0 HETATM 17 C UNK 0 10.814 0.000 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 11.584 -1.334 0.000 0.00 0.00 O+0 HETATM 19 O UNK 0 11.584 1.334 0.000 0.00 0.00 O+0 HETATM 20 O UNK 0 9.274 0.000 0.000 0.00 0.00 O-1 HETATM 21 Na UNK 0 7.734 0.000 0.000 0.00 0.00 Na+1 CONECT 1 2 10 CONECT 2 1 3 CONECT 3 2 4 8 CONECT 4 3 5 13 CONECT 5 4 6 CONECT 6 5 7 12 CONECT 7 6 8 11 CONECT 8 7 3 9 CONECT 9 8 10 CONECT 10 9 1 CONECT 11 7 CONECT 12 6 CONECT 13 4 14 15 16 CONECT 14 13 CONECT 15 13 CONECT 16 13 CONECT 17 18 19 20 CONECT 18 17 CONECT 19 17 CONECT 20 17 MASTER 0 0 0 0 0 0 0 0 21 0 40 0 END