REMARK Name = BDB057474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.207 -1.958 1.896 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.349 -3.024 1.631 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.002 -2.787 1.350 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.514 -1.483 1.324 0.00 0.00 -0.045 A ATOM 5 C LIG 1 -0.647 -0.419 1.602 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.700 -0.658 1.884 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 2.540 -2.048 2.185 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 3.140 -3.342 2.113 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 4.633 -3.228 2.424 0.00 0.00 +0.100 C BRANCH 9 14 ATOM 10 C LIG 1 6.601 -1.082 0.383 0.00 0.00 +0.228 A ATOM 11 O LIG 1 6.477 -2.078 -0.550 0.00 0.00 -0.440 OA ATOM 12 C LIG 1 5.722 -3.033 0.072 0.00 0.00 +0.126 A ATOM 13 C LIG 1 5.417 -4.249 -0.699 0.00 0.00 +0.088 C ATOM 14 C LIG 1 5.417 -2.576 1.337 0.00 0.00 +0.086 A ATOM 15 N LIG 1 5.996 -1.341 1.526 0.00 0.00 -0.214 NA BRANCH 10 19 ATOM 16 C LIG 1 8.836 2.413 -0.698 0.00 0.00 +0.120 A ATOM 17 C LIG 1 8.222 2.318 0.551 0.00 0.00 +0.046 A ATOM 18 C LIG 1 7.495 1.169 0.890 0.00 0.00 +0.017 A ATOM 19 C LIG 1 7.368 0.098 -0.008 0.00 0.00 +0.037 A ATOM 20 C LIG 1 7.990 0.205 -1.259 0.00 0.00 +0.017 A ATOM 21 C LIG 1 8.717 1.351 -1.598 0.00 0.00 +0.046 A BRANCH 16 23 ATOM 22 C LIG 1 9.704 4.585 -0.281 0.00 0.00 +0.277 C ATOM 23 O LIG 1 9.571 3.471 -1.157 0.00 0.00 -0.495 OA ENDBRANCH 16 23 ENDBRANCH 10 19 ENDBRANCH 9 14 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 24 ATOM 24 C LIG 1 -2.970 -1.228 0.993 0.00 0.00 +0.068 C BRANCH 24 25 ATOM 25 CA LIG 1 -3.210 -0.883 -0.490 0.00 0.00 +0.184 C BRANCH 25 26 ATOM 26 C LIG 1 -3.273 -2.167 -1.345 0.00 0.00 +0.326 C ATOM 27 O LIG 1 -3.007 -3.313 -1.017 0.00 0.00 -0.249 OA BRANCH 26 28 ATOM 28 OXT LIG 1 -3.690 -1.911 -2.611 0.00 0.00 -0.479 OA ATOM 29 HXT LIG 1 -3.727 -2.790 -3.042 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 25 26 BRANCH 25 30 ATOM 30 N LIG 1 -4.505 -0.165 -0.631 0.00 0.00 -0.331 N ATOM 31 H LIG 1 -5.028 -0.535 -1.443 0.00 0.00 +0.147 HD BRANCH 30 32 ATOM 32 C LIG 1 -4.567 1.238 -0.684 0.00 0.00 +0.039 A ATOM 33 C LIG 1 -5.724 1.876 -1.193 0.00 0.00 +0.043 A ATOM 34 C LIG 1 -5.839 3.276 -1.215 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -4.828 4.065 -0.678 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -3.710 3.457 -0.117 0.00 0.00 +0.002 A ATOM 37 C LIG 1 -3.589 2.062 -0.112 0.00 0.00 +0.023 A BRANCH 33 38 ATOM 38 C LIG 1 -6.832 1.063 -1.760 0.00 0.00 +0.195 C ATOM 39 O LIG 1 -6.569 0.156 -2.547 0.00 0.00 -0.287 OA BRANCH 38 40 ATOM 40 C LIG 1 -8.246 1.325 -1.384 0.00 0.00 +0.022 A ATOM 41 C LIG 1 -9.253 0.996 -2.300 0.00 0.00 +0.012 A ATOM 42 C LIG 1 -10.593 1.219 -1.979 0.00 0.00 +0.001 A ATOM 43 C LIG 1 -10.931 1.760 -0.739 0.00 0.00 +0.000 A ATOM 44 C LIG 1 -9.932 2.073 0.184 0.00 0.00 +0.001 A ATOM 45 C LIG 1 -8.590 1.852 -0.133 0.00 0.00 +0.012 A ENDBRANCH 38 40 ENDBRANCH 33 38 ENDBRANCH 30 32 ENDBRANCH 25 30 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 14