HEADER PROTEIN 23-JAN-20 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-JAN-20 0 HETATM 1 Ca UNK 0 -8.350 -4.229 0.000 0.00 0.00 Ca+2 HETATM 2 C UNK 0 3.853 1.222 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 2.487 1.998 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 1.164 1.222 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.184 1.998 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -1.525 1.222 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.848 2.014 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -4.188 1.247 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -4.188 -0.295 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -2.848 -1.053 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -1.525 -0.295 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.184 -1.053 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 1.164 -0.295 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 2.487 -1.053 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 3.853 -0.295 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 5.168 -1.053 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 6.508 -0.295 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 7.536 -1.003 0.000 0.00 0.00 O-1 HETATM 19 C UNK 0 6.508 1.222 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 5.168 1.998 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 5.168 3.380 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 7.882 2.082 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 7.882 3.473 0.000 0.00 0.00 O+0 HETATM 24 N UNK 0 9.281 1.264 0.000 0.00 0.00 N+0 HETATM 25 N UNK 0 5.168 -2.630 0.000 0.00 0.00 N+0 HETATM 26 C UNK 0 3.878 -3.506 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 6.550 -3.388 0.000 0.00 0.00 C+0 HETATM 28 H UNK 0 3.853 -1.703 0.000 0.00 0.00 H+0 HETATM 29 H UNK 0 1.164 -1.644 0.000 0.00 0.00 H+0 HETATM 30 O UNK 0 -1.289 -2.453 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 0.675 -2.689 0.000 0.00 0.00 C+0 HETATM 32 Cl UNK 0 -2.848 -2.351 0.000 0.00 0.00 Cl+0 HETATM 33 O UNK 0 -2.848 3.506 0.000 0.00 0.00 O+0 HETATM 34 O UNK 0 -0.184 3.431 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 2.487 3.456 0.000 0.00 0.00 O+0 HETATM 36 O UNK 0 3.853 2.335 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 3.930 -8.470 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 2.565 -7.694 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 1.241 -8.470 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -0.107 -7.694 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -1.447 -8.470 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -2.771 -7.677 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -4.111 -8.444 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -4.111 -9.987 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -2.771 -10.745 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -1.447 -9.987 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -0.107 -10.745 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 1.241 -9.987 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 2.565 -10.745 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 3.930 -9.987 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 5.245 -10.745 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 6.585 -9.987 0.000 0.00 0.00 C+0 HETATM 53 O UNK 0 7.614 -10.695 0.000 0.00 0.00 O-1 HETATM 54 C UNK 0 6.585 -8.470 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 5.245 -7.694 0.000 0.00 0.00 C+0 HETATM 56 O UNK 0 5.245 -6.312 0.000 0.00 0.00 O+0 HETATM 57 C UNK 0 7.959 -7.610 0.000 0.00 0.00 C+0 HETATM 58 O UNK 0 7.959 -6.219 0.000 0.00 0.00 O+0 HETATM 59 N UNK 0 9.358 -8.427 0.000 0.00 0.00 N+0 HETATM 60 N UNK 0 5.245 -12.321 0.000 0.00 0.00 N+0 HETATM 61 C UNK 0 3.956 -13.198 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 6.627 -13.080 0.000 0.00 0.00 C+0 HETATM 63 H UNK 0 3.930 -11.394 0.000 0.00 0.00 H+0 HETATM 64 H UNK 0 1.241 -11.335 0.000 0.00 0.00 H+0 HETATM 65 O UNK 0 -1.211 -12.144 0.000 0.00 0.00 O+0 HETATM 66 C UNK 0 0.753 -12.381 0.000 0.00 0.00 C+0 HETATM 67 Cl UNK 0 -2.771 -12.043 0.000 0.00 0.00 Cl+0 HETATM 68 O UNK 0 -2.771 -6.185 0.000 0.00 0.00 O+0 HETATM 69 O UNK 0 -0.107 -6.261 0.000 0.00 0.00 O+0 HETATM 70 O UNK 0 2.565 -6.236 0.000 0.00 0.00 O+0 HETATM 71 O UNK 0 3.930 -7.357 0.000 0.00 0.00 O+0 CONECT 2 36 3 15 20 CONECT 3 35 2 4 CONECT 4 3 5 13 CONECT 5 34 4 6 CONECT 6 5 7 11 CONECT 7 6 8 33 CONECT 8 7 9 CONECT 9 8 10 CONECT 10 9 11 32 CONECT 11 10 12 6 CONECT 12 11 13 30 31 CONECT 13 12 14 29 4 CONECT 14 13 15 CONECT 15 14 2 16 28 CONECT 16 15 17 25 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 22 CONECT 20 19 2 21 CONECT 21 20 CONECT 22 19 23 24 CONECT 23 22 CONECT 24 22 CONECT 25 16 26 27 CONECT 26 25 CONECT 27 25 CONECT 28 15 CONECT 29 13 CONECT 30 12 CONECT 31 12 CONECT 32 10 CONECT 33 7 CONECT 34 5 CONECT 35 3 CONECT 36 2 CONECT 37 38 50 55 71 CONECT 38 37 39 70 CONECT 39 38 40 48 CONECT 40 39 41 69 CONECT 41 40 42 46 CONECT 42 41 43 68 CONECT 43 42 44 CONECT 44 43 45 CONECT 45 44 46 67 CONECT 46 45 47 41 CONECT 47 46 48 65 66 CONECT 48 47 49 64 39 CONECT 49 48 50 CONECT 50 49 37 51 63 CONECT 51 50 52 60 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 57 CONECT 55 54 37 56 CONECT 56 55 CONECT 57 54 58 59 CONECT 58 57 CONECT 59 57 CONECT 60 51 61 62 CONECT 61 60 CONECT 62 60 CONECT 63 50 CONECT 64 48 CONECT 65 47 CONECT 66 47 CONECT 67 45 CONECT 68 42 CONECT 69 40 CONECT 70 38 CONECT 71 37 MASTER 0 0 0 0 0 0 0 0 71 0 152 0 END