REMARK Name = BDB057533 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -0.450 0.462 1.046 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.101 1.957 1.019 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -0.299 2.737 0.099 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 0.465 2.392 2.164 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 0.609 3.349 2.007 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -1.892 0.286 0.736 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -2.359 1.203 0.656 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -2.670 -0.577 1.530 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -4.056 -0.351 1.700 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -4.851 -1.232 2.453 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -4.292 -2.385 2.996 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -2.945 -2.659 2.785 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -2.149 -1.771 2.053 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -4.686 0.869 1.131 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -4.110 1.949 1.250 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -5.988 0.804 0.418 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -6.817 1.930 0.437 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -8.046 1.909 -0.230 0.00 0.00 +0.009 A ATOM 19 C LIG 1 -8.467 0.770 -0.937 0.00 0.00 -0.018 A ATOM 20 C LIG 1 -7.614 -0.346 -0.961 0.00 0.00 +0.009 A ATOM 21 C LIG 1 -6.382 -0.331 -0.296 0.00 0.00 +0.012 A BRANCH 19 22 ATOM 22 C LIG 1 -9.761 0.750 -1.640 0.00 0.00 -0.018 A ATOM 23 C LIG 1 -10.699 -0.267 -1.402 0.00 0.00 +0.008 A ATOM 24 C LIG 1 -11.927 -0.287 -2.070 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -12.236 0.713 -2.989 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -11.320 1.730 -3.241 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -10.093 1.749 -2.571 0.00 0.00 +0.008 A ENDBRANCH 19 22 ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 28 ATOM 28 C LIG 1 0.389 -0.262 -0.020 0.00 0.00 +0.068 C BRANCH 28 32 ATOM 29 C LIG 1 4.596 -0.394 0.978 0.00 0.00 +0.121 A ATOM 30 C LIG 1 3.707 -1.287 1.572 0.00 0.00 +0.046 A ATOM 31 C LIG 1 2.347 -1.250 1.243 0.00 0.00 +0.007 A ATOM 32 C LIG 1 1.862 -0.317 0.317 0.00 0.00 -0.045 A ATOM 33 C LIG 1 2.759 0.580 -0.273 0.00 0.00 +0.007 A ATOM 34 C LIG 1 4.114 0.540 0.059 0.00 0.00 +0.046 A BRANCH 29 35 ATOM 35 O LIG 1 5.939 -0.318 1.213 0.00 0.00 -0.490 OA BRANCH 35 36 ATOM 36 C LIG 1 6.530 -1.353 1.997 0.00 0.00 +0.248 C BRANCH 36 37 ATOM 37 C LIG 1 8.058 -1.175 2.039 0.00 0.00 +0.150 C BRANCH 37 39 ATOM 38 C LIG 1 8.686 -2.801 0.241 0.00 0.00 +0.134 C ATOM 39 N LIG 1 8.709 -1.442 0.750 0.00 0.00 -0.285 N BRANCH 39 40 ATOM 40 C LIG 1 8.804 -0.412 -0.127 0.00 0.00 +0.291 A ATOM 41 O LIG 1 9.066 -0.725 -1.438 0.00 0.00 -0.424 OA ATOM 42 C LIG 1 9.096 0.481 -2.070 0.00 0.00 +0.157 A ATOM 43 C LIG 1 8.866 1.460 -1.120 0.00 0.00 +0.111 A ATOM 44 C LIG 1 8.846 2.802 -1.520 0.00 0.00 +0.031 A ATOM 45 C LIG 1 9.062 3.091 -2.876 0.00 0.00 +0.002 A ATOM 46 C LIG 1 9.292 2.069 -3.807 0.00 0.00 +0.004 A ATOM 47 C LIG 1 9.315 0.723 -3.421 0.00 0.00 +0.048 A ATOM 48 N LIG 1 8.693 0.880 0.108 0.00 0.00 -0.195 NA ENDBRANCH 39 40 ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 29 35 ENDBRANCH 28 32 ENDBRANCH 1 28 TORSDOF 14