HEADER PROTEIN 21-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 21-JUN-21 0 HETATM 1 C UNK 0 -0.360 2.977 1.861 0.00 0.00 C+0 HETATM 2 C UNK 0 0.613 2.003 1.162 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.048 0.607 1.150 0.00 0.00 C+0 HETATM 4 C UNK 0 1.958 2.002 1.942 0.00 0.00 C+0 HETATM 5 Br UNK 0 1.990 1.015 3.614 0.00 0.00 Br+0 HETATM 6 C UNK 0 3.009 1.475 0.982 0.00 0.00 C+0 HETATM 7 C UNK 0 2.457 1.706 -0.425 0.00 0.00 C+0 HETATM 8 C UNK 0 1.101 2.478 -0.296 0.00 0.00 C+0 HETATM 9 C UNK 0 1.449 4.000 -0.280 0.00 0.00 C+0 HETATM 10 C UNK 0 0.156 2.162 -1.555 0.00 0.00 C+0 HETATM 11 O UNK 0 -0.096 0.753 -1.654 0.00 0.00 O+0 HETATM 12 C UNK 0 -1.240 2.818 -1.452 0.00 0.00 C+0 HETATM 13 C UNK 0 -2.132 2.537 -2.670 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.476 2.943 -4.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -1.463 4.471 -4.158 0.00 0.00 C+0 HETATM 16 Br UNK 0 -2.661 2.238 -5.438 0.00 0.00 Br+0 HETATM 17 C UNK 0 -0.091 2.272 -4.121 0.00 0.00 C+0 HETATM 18 Cl UNK 0 0.807 2.762 -5.603 0.00 0.00 Cl+0 HETATM 19 C UNK 0 0.805 2.572 -2.905 0.00 0.00 C+0 HETATM 20 H UNK 0 -1.290 3.107 1.308 0.00 0.00 H+0 HETATM 21 H UNK 0 -0.634 2.609 2.857 0.00 0.00 H+0 HETATM 22 H UNK 0 0.080 3.969 2.007 0.00 0.00 H+0 HETATM 23 H UNK 0 -0.321 0.273 2.156 0.00 0.00 H+0 HETATM 24 H UNK 0 0.607 -0.157 0.720 0.00 0.00 H+0 HETATM 25 H UNK 0 -0.989 0.612 0.592 0.00 0.00 H+0 HETATM 26 H UNK 0 2.231 3.017 2.253 0.00 0.00 H+0 HETATM 27 H UNK 0 3.217 0.407 1.122 0.00 0.00 H+0 HETATM 28 H UNK 0 3.959 2.003 1.120 0.00 0.00 H+0 HETATM 29 H UNK 0 3.184 2.250 -1.040 0.00 0.00 H+0 HETATM 30 H UNK 0 2.333 0.726 -0.894 0.00 0.00 H+0 HETATM 31 H UNK 0 2.097 4.277 0.556 0.00 0.00 H+0 HETATM 32 H UNK 0 0.555 4.624 -0.211 0.00 0.00 H+0 HETATM 33 H UNK 0 1.998 4.303 -1.177 0.00 0.00 H+0 HETATM 34 H UNK 0 0.716 0.285 -1.911 0.00 0.00 H+0 HETATM 35 H UNK 0 -1.782 2.416 -0.592 0.00 0.00 H+0 HETATM 36 H UNK 0 -1.160 3.900 -1.314 0.00 0.00 H+0 HETATM 37 H UNK 0 -3.089 3.058 -2.536 0.00 0.00 H+0 HETATM 38 H UNK 0 -2.378 1.466 -2.681 0.00 0.00 H+0 HETATM 39 H UNK 0 -0.801 4.951 -3.431 0.00 0.00 H+0 HETATM 40 H UNK 0 -1.139 4.783 -5.157 0.00 0.00 H+0 HETATM 41 H UNK 0 -2.465 4.891 -4.010 0.00 0.00 H+0 HETATM 42 H UNK 0 -0.210 1.185 -4.211 0.00 0.00 H+0 HETATM 43 H UNK 0 1.748 2.027 -3.037 0.00 0.00 H+0 HETATM 44 H UNK 0 1.048 3.639 -2.907 0.00 0.00 H+0 CONECT 1 2 20 21 22 CONECT 2 4 1 8 3 CONECT 3 2 23 24 25 CONECT 4 2 6 5 26 CONECT 5 4 CONECT 6 4 7 27 28 CONECT 7 6 8 29 30 CONECT 8 7 10 2 9 CONECT 9 8 31 32 33 CONECT 10 8 12 19 11 CONECT 11 10 34 CONECT 12 13 10 35 36 CONECT 13 12 14 37 38 CONECT 14 15 16 17 13 CONECT 15 14 39 40 41 CONECT 16 14 CONECT 17 18 19 14 42 CONECT 18 17 CONECT 19 17 10 43 44 CONECT 20 1 CONECT 21 1 CONECT 22 1 CONECT 23 3 CONECT 24 3 CONECT 25 3 CONECT 26 4 CONECT 27 6 CONECT 28 6 CONECT 29 7 CONECT 30 7 CONECT 31 9 CONECT 32 9 CONECT 33 9 CONECT 34 11 CONECT 35 12 CONECT 36 12 CONECT 37 13 CONECT 38 13 CONECT 39 15 CONECT 40 15 CONECT 41 15 CONECT 42 17 CONECT 43 19 CONECT 44 19 MASTER 0 0 0 0 0 0 0 0 44 0 90 0 END