HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 -2.917 1.061 -2.717 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.901 1.563 -1.683 0.00 0.00 C+0 HETATM 3 C UNK 0 -1.696 3.070 -1.860 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.581 0.730 -1.707 0.00 0.00 C+0 HETATM 5 C UNK 0 0.144 0.809 -3.066 0.00 0.00 C+0 HETATM 6 C UNK 0 1.394 -0.070 -3.112 0.00 0.00 C+0 HETATM 7 C UNK 0 2.413 0.226 -1.978 0.00 0.00 C+0 HETATM 8 C UNK 0 3.095 1.575 -2.267 0.00 0.00 C+0 HETATM 9 C UNK 0 1.701 0.235 -0.604 0.00 0.00 C+0 HETATM 10 C UNK 0 1.538 -1.255 -0.254 0.00 0.00 C+0 HETATM 11 C UNK 0 2.610 -2.014 -1.039 0.00 0.00 C+0 HETATM 12 C UNK 0 3.426 -0.957 -1.803 0.00 0.00 C+0 HETATM 13 O UNK 0 3.816 -1.484 -3.074 0.00 0.00 O+0 HETATM 14 C UNK 0 4.729 -0.642 -1.028 0.00 0.00 C+0 HETATM 15 O UNK 0 5.609 0.124 -1.856 0.00 0.00 O+0 HETATM 16 C UNK 0 0.408 1.091 -0.557 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.226 1.050 0.849 0.00 0.00 C+0 HETATM 18 O UNK 0 -0.921 -0.177 1.048 0.00 0.00 O+0 HETATM 19 C UNK 0 -1.551 -0.244 2.330 0.00 0.00 C+0 HETATM 20 O UNK 0 -0.577 -0.284 3.371 0.00 0.00 O+0 HETATM 21 C UNK 0 -1.176 -0.367 4.671 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.075 -0.297 5.737 0.00 0.00 C+0 HETATM 23 O UNK 0 -0.610 -0.163 7.049 0.00 0.00 O+0 HETATM 24 C UNK 0 -1.991 -1.666 4.802 0.00 0.00 C+0 HETATM 25 O UNK 0 -2.628 -1.753 6.081 0.00 0.00 O+0 HETATM 26 C UNK 0 -3.047 -1.719 3.697 0.00 0.00 C+0 HETATM 27 O UNK 0 -3.728 -2.981 3.764 0.00 0.00 O+0 HETATM 28 C UNK 0 -2.396 -1.532 2.330 0.00 0.00 C+0 HETATM 29 O UNK 0 -3.422 -1.489 1.327 0.00 0.00 O+0 HETATM 30 H UNK 0 -2.608 1.292 -3.741 0.00 0.00 H+0 HETATM 31 H UNK 0 -3.059 -0.021 -2.632 0.00 0.00 H+0 HETATM 32 H UNK 0 -3.892 1.536 -2.555 0.00 0.00 H+0 HETATM 33 H UNK 0 -2.377 1.412 -0.706 0.00 0.00 H+0 HETATM 34 H UNK 0 -1.037 3.482 -1.091 0.00 0.00 H+0 HETATM 35 H UNK 0 -1.274 3.312 -2.840 0.00 0.00 H+0 HETATM 36 H UNK 0 -2.653 3.597 -1.778 0.00 0.00 H+0 HETATM 37 H UNK 0 -0.884 -0.317 -1.573 0.00 0.00 H+0 HETATM 38 H UNK 0 0.414 1.844 -3.299 0.00 0.00 H+0 HETATM 39 H UNK 0 -0.523 0.477 -3.870 0.00 0.00 H+0 HETATM 40 H UNK 0 1.877 0.054 -4.090 0.00 0.00 H+0 HETATM 41 H UNK 0 1.064 -1.116 -3.075 0.00 0.00 H+0 HETATM 42 H UNK 0 3.751 1.884 -1.446 0.00 0.00 H+0 HETATM 43 H UNK 0 3.693 1.524 -3.183 0.00 0.00 H+0 HETATM 44 H UNK 0 2.371 2.385 -2.397 0.00 0.00 H+0 HETATM 45 H UNK 0 2.390 0.662 0.140 0.00 0.00 H+0 HETATM 46 H UNK 0 1.659 -1.413 0.824 0.00 0.00 H+0 HETATM 47 H UNK 0 0.555 -1.648 -0.528 0.00 0.00 H+0 HETATM 48 H UNK 0 2.137 -2.724 -1.730 0.00 0.00 H+0 HETATM 49 H UNK 0 3.230 -2.619 -0.368 0.00 0.00 H+0 HETATM 50 H UNK 0 4.541 -0.898 -3.375 0.00 0.00 H+0 HETATM 51 H UNK 0 5.261 -1.570 -0.793 0.00 0.00 H+0 HETATM 52 H UNK 0 4.545 -0.099 -0.097 0.00 0.00 H+0 HETATM 53 H UNK 0 6.427 0.258 -1.345 0.00 0.00 H+0 HETATM 54 H UNK 0 0.734 2.128 -0.709 0.00 0.00 H+0 HETATM 55 H UNK 0 0.554 1.166 1.611 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.925 1.886 0.967 0.00 0.00 H+0 HETATM 57 H UNK 0 -2.200 0.635 2.445 0.00 0.00 H+0 HETATM 58 H UNK 0 -1.838 0.497 4.822 0.00 0.00 H+0 HETATM 59 H UNK 0 0.579 0.561 5.549 0.00 0.00 H+0 HETATM 60 H UNK 0 0.560 -1.190 5.705 0.00 0.00 H+0 HETATM 61 H UNK 0 -1.360 -0.793 7.118 0.00 0.00 H+0 HETATM 62 H UNK 0 -1.331 -2.538 4.712 0.00 0.00 H+0 HETATM 63 H UNK 0 -3.270 -2.490 5.992 0.00 0.00 H+0 HETATM 64 H UNK 0 -3.819 -0.958 3.868 0.00 0.00 H+0 HETATM 65 H UNK 0 -4.249 -3.034 2.936 0.00 0.00 H+0 HETATM 66 H UNK 0 -1.769 -2.402 2.095 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.956 -1.263 0.496 0.00 0.00 H+0 CONECT 1 2 30 31 32 CONECT 2 4 1 3 33 CONECT 3 2 34 35 36 CONECT 4 5 16 2 37 CONECT 5 4 6 38 39 CONECT 6 7 5 40 41 CONECT 7 6 9 12 8 CONECT 8 7 42 43 44 CONECT 9 16 7 10 45 CONECT 10 9 11 46 47 CONECT 11 10 12 48 49 CONECT 12 11 7 14 13 CONECT 13 12 50 CONECT 14 12 15 51 52 CONECT 15 14 53 CONECT 16 4 9 17 54 CONECT 17 16 18 55 56 CONECT 18 19 17 CONECT 19 18 28 20 57 CONECT 20 21 19 CONECT 21 20 24 22 58 CONECT 22 23 21 59 60 CONECT 23 22 61 CONECT 24 21 26 25 62 CONECT 25 24 63 CONECT 26 27 24 28 64 CONECT 27 26 65 CONECT 28 29 26 19 66 CONECT 29 28 67 CONECT 30 1 CONECT 31 1 CONECT 32 1 CONECT 33 2 CONECT 34 3 CONECT 35 3 CONECT 36 3 CONECT 37 4 CONECT 38 5 CONECT 39 5 CONECT 40 6 CONECT 41 6 CONECT 42 8 CONECT 43 8 CONECT 44 8 CONECT 45 9 CONECT 46 10 CONECT 47 10 CONECT 48 11 CONECT 49 11 CONECT 50 13 CONECT 51 14 CONECT 52 14 CONECT 53 15 CONECT 54 16 CONECT 55 17 CONECT 56 17 CONECT 57 19 CONECT 58 21 CONECT 59 22 CONECT 60 22 CONECT 61 23 CONECT 62 24 CONECT 63 25 CONECT 64 26 CONECT 65 27 CONECT 66 28 CONECT 67 29 MASTER 0 0 0 0 0 0 0 0 67 0 138 0 END