HEADER PROTEIN 24-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-JUN-21 0 HETATM 1 C UNK 0 0.486 -0.317 4.087 0.00 0.00 C+0 HETATM 2 O UNK 0 -0.321 -0.332 2.928 0.00 0.00 O+0 HETATM 3 C UNK 0 0.332 -0.438 1.694 0.00 0.00 C+0 HETATM 4 C UNK 0 1.705 -0.524 1.623 0.00 0.00 C+0 HETATM 5 C UNK 0 2.304 -0.628 0.389 0.00 0.00 C+0 HETATM 6 O UNK 0 3.699 -0.716 0.302 0.00 0.00 O+0 HETATM 7 C UNK 0 4.507 0.414 0.192 0.00 0.00 C+0 HETATM 8 O UNK 0 3.909 1.507 0.175 0.00 0.00 O+0 HETATM 9 C UNK 0 5.945 0.318 0.103 0.00 0.00 C+0 HETATM 10 C UNK 0 6.579 -0.927 0.124 0.00 0.00 C+0 HETATM 11 C UNK 0 5.718 -2.145 0.243 0.00 0.00 C+0 HETATM 12 C UNK 0 7.939 -1.024 0.040 0.00 0.00 C+0 HETATM 13 C UNK 0 8.699 0.113 -0.067 0.00 0.00 C+0 HETATM 14 O UNK 0 10.075 -0.045 -0.149 0.00 0.00 O+0 HETATM 15 C UNK 0 8.144 1.362 -0.094 0.00 0.00 C+0 HETATM 16 C UNK 0 8.986 2.580 -0.211 0.00 0.00 C+0 HETATM 17 C UNK 0 6.739 1.453 -0.007 0.00 0.00 C+0 HETATM 18 O UNK 0 6.261 2.732 -0.041 0.00 0.00 O+0 HETATM 19 C UNK 0 1.566 -0.647 -0.776 0.00 0.00 C+0 HETATM 20 C UNK 0 2.248 -0.761 -2.112 0.00 0.00 C+0 HETATM 21 C UNK 0 0.193 -0.560 -0.681 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.618 -0.580 -1.949 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.439 -0.456 0.525 0.00 0.00 C+0 HETATM 24 C UNK 0 -1.883 -0.363 0.639 0.00 0.00 C+0 HETATM 25 O UNK 0 -2.426 -0.269 1.770 0.00 0.00 O+0 HETATM 26 O UNK 0 -2.740 -0.371 -0.451 0.00 0.00 O+0 HETATM 27 C UNK 0 -4.122 -0.282 -0.334 0.00 0.00 C+0 HETATM 28 C UNK 0 -4.929 -1.393 -0.208 0.00 0.00 C+0 HETATM 29 C UNK 0 -4.294 -2.724 -0.198 0.00 0.00 C+0 HETATM 30 C UNK 0 -6.319 -1.247 -0.093 0.00 0.00 C+0 HETATM 31 C UNK 0 -7.172 -2.457 0.042 0.00 0.00 C+0 HETATM 32 C UNK 0 -6.920 -0.001 -0.102 0.00 0.00 C+0 HETATM 33 C UNK 0 -8.374 0.125 0.020 0.00 0.00 C+0 HETATM 34 O UNK 0 -9.155 -0.847 0.137 0.00 0.00 O+0 HETATM 35 O UNK 0 -8.922 1.397 0.006 0.00 0.00 O+0 HETATM 36 C UNK 0 -6.102 1.100 -0.228 0.00 0.00 C+0 HETATM 37 O UNK 0 -6.684 2.357 -0.239 0.00 0.00 O+0 HETATM 38 C UNK 0 -7.121 3.030 -1.379 0.00 0.00 C+0 HETATM 39 C UNK 0 -4.735 0.954 -0.341 0.00 0.00 C+0 HETATM 40 C UNK 0 -3.883 2.160 -0.475 0.00 0.00 C+0 HETATM 41 H UNK 0 1.192 -1.171 4.135 0.00 0.00 H+0 HETATM 42 H UNK 0 -0.098 -0.313 5.011 0.00 0.00 H+0 HETATM 43 H UNK 0 1.110 0.614 4.105 0.00 0.00 H+0 HETATM 44 H UNK 0 2.294 -0.509 2.551 0.00 0.00 H+0 HETATM 45 H UNK 0 5.186 -2.178 1.212 0.00 0.00 H+0 HETATM 46 H UNK 0 6.427 -3.017 0.278 0.00 0.00 H+0 HETATM 47 H UNK 0 5.061 -2.287 -0.621 0.00 0.00 H+0 HETATM 48 H UNK 0 8.376 -2.021 0.062 0.00 0.00 H+0 HETATM 49 H UNK 0 10.722 0.722 -0.231 0.00 0.00 H+0 HETATM 50 H UNK 0 9.768 2.378 -0.970 0.00 0.00 H+0 HETATM 51 H UNK 0 8.353 3.452 -0.513 0.00 0.00 H+0 HETATM 52 H UNK 0 9.415 2.780 0.787 0.00 0.00 H+0 HETATM 53 H UNK 0 5.352 3.067 0.002 0.00 0.00 H+0 HETATM 54 H UNK 0 1.941 0.043 -2.782 0.00 0.00 H+0 HETATM 55 H UNK 0 3.337 -0.675 -1.943 0.00 0.00 H+0 HETATM 56 H UNK 0 2.080 -1.782 -2.528 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.302 -1.461 -1.934 0.00 0.00 H+0 HETATM 58 H UNK 0 -1.161 0.372 -2.003 0.00 0.00 H+0 HETATM 59 H UNK 0 0.052 -0.745 -2.819 0.00 0.00 H+0 HETATM 60 H UNK 0 -4.708 -3.394 -0.984 0.00 0.00 H+0 HETATM 61 H UNK 0 -4.397 -3.222 0.804 0.00 0.00 H+0 HETATM 62 H UNK 0 -3.211 -2.600 -0.376 0.00 0.00 H+0 HETATM 63 H UNK 0 -7.865 -2.535 -0.828 0.00 0.00 H+0 HETATM 64 H UNK 0 -7.718 -2.466 1.007 0.00 0.00 H+0 HETATM 65 H UNK 0 -6.508 -3.340 -0.030 0.00 0.00 H+0 HETATM 66 H UNK 0 -9.814 1.592 0.437 0.00 0.00 H+0 HETATM 67 H UNK 0 -7.380 2.292 -2.151 0.00 0.00 H+0 HETATM 68 H UNK 0 -7.993 3.675 -1.224 0.00 0.00 H+0 HETATM 69 H UNK 0 -6.292 3.714 -1.725 0.00 0.00 H+0 HETATM 70 H UNK 0 -4.161 2.935 0.287 0.00 0.00 H+0 HETATM 71 H UNK 0 -4.109 2.615 -1.464 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.824 1.912 -0.454 0.00 0.00 H+0 CONECT 1 2 41 42 43 CONECT 2 1 3 CONECT 3 2 4 23 CONECT 4 3 5 44 CONECT 5 4 6 19 CONECT 6 5 7 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 17 CONECT 10 9 11 12 CONECT 11 10 45 46 47 CONECT 12 10 13 48 CONECT 13 12 14 15 CONECT 14 13 49 CONECT 15 13 16 17 CONECT 16 15 50 51 52 CONECT 17 15 18 9 CONECT 18 17 53 CONECT 19 5 20 21 CONECT 20 19 54 55 56 CONECT 21 19 22 23 CONECT 22 21 57 58 59 CONECT 23 21 24 3 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 CONECT 27 26 28 39 CONECT 28 27 29 30 CONECT 29 28 60 61 62 CONECT 30 28 31 32 CONECT 31 30 63 64 65 CONECT 32 30 33 36 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 66 CONECT 36 32 37 39 CONECT 37 36 38 CONECT 38 37 67 68 69 CONECT 39 36 40 27 CONECT 40 39 70 71 72 CONECT 41 1 CONECT 42 1 CONECT 43 1 CONECT 44 4 CONECT 45 11 CONECT 46 11 CONECT 47 11 CONECT 48 12 CONECT 49 14 CONECT 50 16 CONECT 51 16 CONECT 52 16 CONECT 53 18 CONECT 54 20 CONECT 55 20 CONECT 56 20 CONECT 57 22 CONECT 58 22 CONECT 59 22 CONECT 60 29 CONECT 61 29 CONECT 62 29 CONECT 63 31 CONECT 64 31 CONECT 65 31 CONECT 66 35 CONECT 67 38 CONECT 68 38 CONECT 69 38 CONECT 70 40 CONECT 71 40 CONECT 72 40 MASTER 0 0 0 0 0 0 0 0 72 0 148 0 END