REMARK Name = BDB044112 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 0 -0.086 -0.131 0.490 0.00 0.00 +0.102 C ENDROOT BRANCH 1 2 ATOM 2 N UNK A 0 -1.127 -1.166 0.598 0.00 0.00 -0.308 N ATOM 3 H UNK A 0 -0.893 -2.048 0.158 0.00 0.00 +0.149 HD ATOM 4 C UNK A 0 -2.458 -0.908 0.839 0.00 0.00 +0.234 C ATOM 5 O UNK A 0 -2.885 0.225 1.056 0.00 0.00 -0.274 OA BRANCH 4 6 ATOM 6 C UNK A 0 -3.364 -2.161 0.887 0.00 0.00 +0.165 C BRANCH 6 7 ATOM 7 N UNK A 0 -4.664 -1.836 1.502 0.00 0.00 -0.302 N ATOM 8 H UNK A 0 -4.593 -1.567 2.477 0.00 0.00 +0.150 HD ATOM 9 C UNK A 0 -5.715 -1.244 0.829 0.00 0.00 +0.234 C ATOM 10 O UNK A 0 -5.731 -1.069 -0.388 0.00 0.00 -0.274 OA BRANCH 9 11 ATOM 11 C UNK A 0 -6.912 -0.865 1.734 0.00 0.00 +0.166 C BRANCH 11 12 ATOM 12 N UNK A 0 -7.808 0.011 0.994 0.00 0.00 -0.269 N ATOM 13 H UNK A 0 -8.137 -0.319 0.094 0.00 0.00 +0.153 HD ATOM 14 C UNK A 0 -7.675 1.365 1.053 0.00 0.00 +0.401 C ATOM 15 O UNK A 0 -7.043 1.964 1.907 0.00 0.00 -0.226 OA BRANCH 14 16 ATOM 16 O UNK A 0 -8.345 1.911 0.015 0.00 0.00 -0.445 OA BRANCH 16 17 ATOM 17 C UNK A 0 -8.340 3.347 -0.194 0.00 0.00 +0.107 C ATOM 18 C UNK A 0 -9.193 3.559 -1.454 0.00 0.00 +0.055 C ATOM 19 C UNK A 0 -9.003 4.083 0.976 0.00 0.00 +0.055 C ATOM 20 C UNK A 0 -6.924 3.864 -0.469 0.00 0.00 +0.055 C ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 11 12 BRANCH 11 21 ATOM 21 C UNK A 0 -7.631 -2.110 2.280 0.00 0.00 +0.067 C BRANCH 21 22 ATOM 22 C UNK A 0 -8.285 -2.984 1.232 0.00 0.00 -0.045 A ATOM 23 C UNK A 0 -7.579 -4.040 0.640 0.00 0.00 +0.004 A ATOM 24 C UNK A 0 -8.180 -4.829 -0.343 0.00 0.00 +0.000 A ATOM 25 C UNK A 0 -9.490 -4.572 -0.741 0.00 0.00 +0.000 A ATOM 26 C UNK A 0 -10.203 -3.529 -0.155 0.00 0.00 +0.000 A ATOM 27 C UNK A 0 -9.605 -2.738 0.827 0.00 0.00 +0.004 A ENDBRANCH 21 22 ENDBRANCH 11 21 ENDBRANCH 9 11 ENDBRANCH 6 7 BRANCH 6 28 ATOM 28 C UNK A 0 -3.418 -3.017 -0.396 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C UNK A 0 -3.100 -2.325 -1.679 0.00 0.00 +0.038 A ATOM 30 N UNK A 0 -3.876 -1.322 -2.207 0.00 0.00 -0.348 N ATOM 31 H UNK A 0 -4.724 -0.947 -1.789 0.00 0.00 +0.166 HD ATOM 32 C UNK A 0 -3.294 -0.913 -3.370 0.00 0.00 +0.196 A ATOM 33 N UNK A 0 -2.212 -1.607 -3.635 0.00 0.00 -0.244 NA ATOM 34 C UNK A 0 -2.084 -2.492 -2.597 0.00 0.00 +0.133 A ENDBRANCH 28 29 ENDBRANCH 6 28 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 35 ATOM 35 C UNK A 0 0.137 0.619 1.823 0.00 0.00 +0.028 C BRANCH 35 37 ATOM 36 C UNK A 0 0.568 0.564 4.299 0.00 0.00 +0.007 C ATOM 37 C UNK A 0 0.475 -0.286 3.029 0.00 0.00 -0.015 C ATOM 38 C UNK A 0 1.779 -1.063 2.836 0.00 0.00 +0.007 C ENDBRANCH 35 37 ENDBRANCH 1 35 BRANCH 1 39 ATOM 39 C UNK A 0 -0.341 0.819 -0.725 0.00 0.00 +0.143 C BRANCH 39 40 ATOM 40 O UNK A 0 -1.292 1.844 -0.402 0.00 0.00 -0.389 OA ATOM 41 H UNK A 0 -2.036 1.409 0.070 0.00 0.00 +0.210 HD ENDBRANCH 39 40 BRANCH 39 42 ATOM 42 C UNK A 0 0.922 1.534 -1.212 0.00 0.00 +0.129 C BRANCH 42 43 ATOM 43 C UNK A 0 1.990 0.574 -1.688 0.00 0.00 +0.216 C ATOM 44 N LEU A 1 3.232 1.165 -1.821 0.00 0.00 -0.304 N ATOM 45 H LEU A 1 3.354 2.030 -1.305 0.00 0.00 +0.149 HD ATOM 46 O UNK A 0 1.782 -0.610 -1.929 0.00 0.00 -0.276 OA BRANCH 44 47 ATOM 47 CA LEU A 1 4.419 0.318 -1.882 0.00 0.00 +0.159 C BRANCH 47 48 ATOM 48 C LEU A 1 4.886 0.026 -0.437 0.00 0.00 +0.234 C ATOM 49 N UNK A 2 5.896 -0.907 -0.332 0.00 0.00 -0.301 N ATOM 50 H UNK A 2 5.950 -1.589 -1.081 0.00 0.00 +0.150 HD ATOM 51 O LEU A 1 4.397 0.588 0.543 0.00 0.00 -0.274 OA BRANCH 49 52 ATOM 52 C UNK A 2 6.329 -1.371 0.992 0.00 0.00 +0.186 C BRANCH 52 53 ATOM 53 C UNK A 2 5.453 -2.557 1.385 0.00 0.00 +0.326 C ATOM 54 O UNK A 2 4.910 -3.339 0.618 0.00 0.00 -0.249 OA BRANCH 53 55 ATOM 55 O UNK A 2 5.352 -2.726 2.719 0.00 0.00 -0.479 OA ATOM 56 H UNK A 2 4.753 -3.495 2.822 0.00 0.00 +0.295 HD ENDBRANCH 53 55 ENDBRANCH 52 53 BRANCH 52 57 ATOM 57 C UNK A 2 7.792 -1.829 0.988 0.00 0.00 +0.069 C BRANCH 57 58 ATOM 58 C UNK A 2 8.765 -0.683 0.828 0.00 0.00 -0.045 A ATOM 59 C UNK A 2 9.400 -0.448 -0.401 0.00 0.00 +0.008 A ATOM 60 C UNK A 2 10.295 0.623 -0.557 0.00 0.00 -0.034 A ATOM 61 C UNK A 2 10.552 1.453 0.543 0.00 0.00 +0.005 A ATOM 62 C UNK A 2 9.923 1.229 1.767 0.00 0.00 +0.001 A ATOM 63 C UNK A 2 9.033 0.167 1.909 0.00 0.00 +0.004 A BRANCH 60 64 ATOM 64 C UNK A 2 10.988 0.862 -1.875 0.00 0.00 +0.113 C BRANCH 64 65 ATOM 65 N UNK A 2 10.775 2.220 -2.361 0.00 0.00 -0.326 NA ATOM 66 H UNK A 2 11.150 2.301 -3.303 0.00 0.00 +0.119 HD ATOM 67 H UNK A 2 9.774 2.390 -2.430 0.00 0.00 +0.119 HD ENDBRANCH 64 65 ENDBRANCH 60 64 ENDBRANCH 57 58 ENDBRANCH 52 57 ENDBRANCH 49 52 ENDBRANCH 47 48 BRANCH 47 68 ATOM 68 CB LEU A 1 5.514 0.906 -2.786 0.00 0.00 +0.034 C BRANCH 68 69 ATOM 69 CG LEU A 1 5.902 2.386 -2.576 0.00 0.00 -0.015 C ATOM 70 CD2 LEU A 1 6.862 2.816 -3.692 0.00 0.00 +0.007 C ATOM 71 CD1 LEU A 1 6.551 2.657 -1.220 0.00 0.00 +0.007 C ENDBRANCH 68 69 ENDBRANCH 47 68 ENDBRANCH 44 47 ENDBRANCH 42 43 ENDBRANCH 39 42 ENDBRANCH 1 39 TORSDOF 28