HEADER PROTEIN 22-JUL-13 NONE TITLE NULL COMPND MOLECULE: 2629-55-2.mol SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 22-JUL-13 0 HETATM 1 C UNK 0 -1.313 3.105 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.313 1.579 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -2.697 3.853 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 0.026 3.853 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 0.026 0.800 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.697 0.778 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -3.999 3.105 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 -2.682 5.379 0.000 0.00 0.00 O+0 HETATM 9 C UNK 0 1.328 3.030 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 1.328 1.579 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 0.026 -0.786 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 -3.999 1.549 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 -2.697 -0.786 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 -5.375 3.883 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 2.697 2.267 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 1.934 4.511 0.000 0.00 0.00 O+0 HETATM 17 C UNK 0 1.328 -1.534 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -5.375 0.778 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -6.700 3.142 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 -5.375 5.402 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 4.021 3.067 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 2.697 0.741 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 2.697 -0.786 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 1.328 -3.082 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 -6.700 1.549 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 -5.375 -0.823 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 -8.046 3.883 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 5.368 2.334 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 4.021 -1.534 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 2.667 -3.890 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -8.046 0.778 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -9.371 3.105 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 4.021 -3.082 0.000 0.00 0.00 C+0 HETATM 34 N UNK 0 5.375 -0.786 0.000 0.00 0.00 N+0 HETATM 35 C UNK 0 2.630 -5.402 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -9.371 1.549 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 -8.046 -0.823 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 5.375 -3.816 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 6.715 -1.571 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -6.730 -1.586 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 8.046 -0.823 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 6.715 -3.105 0.000 0.00 0.00 O+0 HETATM 43 F UNK 0 7.283 0.643 0.000 0.00 0.00 F+0 HETATM 44 F UNK 0 9.371 -1.609 0.000 0.00 0.00 F+0 HETATM 45 F UNK 0 8.915 0.681 0.000 0.00 0.00 F+0 HETATM 46 H UNK 0 1.313 -0.359 0.000 0.00 0.00 H+0 CONECT 1 2 3 4 CONECT 2 1 5 6 CONECT 3 1 7 8 CONECT 4 1 9 CONECT 5 2 10 11 46 CONECT 6 2 12 13 CONECT 7 3 14 12 CONECT 8 3 CONECT 9 4 15 16 10 CONECT 10 5 9 CONECT 11 5 17 CONECT 12 6 7 18 CONECT 13 6 CONECT 14 7 19 20 CONECT 15 9 21 22 CONECT 16 9 CONECT 17 11 23 24 CONECT 18 12 25 26 CONECT 19 14 27 25 CONECT 20 14 CONECT 21 15 28 CONECT 22 15 CONECT 23 17 29 CONECT 24 17 30 CONECT 25 18 19 31 CONECT 26 18 CONECT 27 19 32 CONECT 28 21 CONECT 29 23 33 34 CONECT 30 24 35 33 CONECT 31 25 36 37 CONECT 32 27 36 CONECT 33 29 30 38 CONECT 34 29 39 CONECT 35 30 CONECT 36 31 32 CONECT 37 31 40 CONECT 38 33 CONECT 39 34 41 42 CONECT 40 37 CONECT 41 39 43 44 45 CONECT 42 39 CONECT 43 41 CONECT 44 41 CONECT 45 41 CONECT 46 5 MASTER 0 0 0 0 0 0 0 0 46 0 100 0 END