REMARK Name = BDB001351 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 0.684 0.646 2.536 0.00 0.00 +0.186 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 0.020 -0.185 1.529 0.00 0.00 -0.298 N ATOM 3 H LIG 1 -0.352 0.285 0.715 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -0.510 -1.412 1.854 0.00 0.00 +0.248 C ATOM 5 O LIG 1 -0.314 -1.932 2.950 0.00 0.00 -0.270 OA BRANCH 4 6 ATOM 6 C LIG 1 -1.370 -2.099 0.838 0.00 0.00 +0.079 A ATOM 7 C LIG 1 -1.715 -1.574 -0.419 0.00 0.00 +0.141 A ATOM 8 C LIG 1 -2.517 -2.318 -1.300 0.00 0.00 +0.047 A ATOM 9 C LIG 1 -3.009 -3.567 -0.925 0.00 0.00 +0.004 A ATOM 10 C LIG 1 -2.692 -4.088 0.324 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -1.877 -3.362 1.197 0.00 0.00 +0.017 A BRANCH 7 12 ATOM 12 O LIG 1 -1.211 -0.361 -0.840 0.00 0.00 -0.455 OA BRANCH 12 13 ATOM 13 C LIG 1 -2.142 0.584 -1.214 0.00 0.00 +0.128 A ATOM 14 C LIG 1 -2.035 1.129 -2.493 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -2.926 2.123 -2.897 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -3.907 2.580 -2.016 0.00 0.00 +0.000 A ATOM 17 C LIG 1 -3.996 2.047 -0.729 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -3.109 1.051 -0.322 0.00 0.00 +0.046 A ENDBRANCH 12 13 ENDBRANCH 7 12 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 -0.386 1.444 3.277 0.00 0.00 +0.326 C ATOM 20 O LIG 1 -1.486 1.765 2.851 0.00 0.00 -0.249 OA BRANCH 19 21 ATOM 21 OXT LIG 1 0.007 1.844 4.504 0.00 0.00 -0.479 OA ATOM 22 HXT LIG 1 -0.779 2.303 4.868 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 23 ATOM 23 C LIG 1 1.674 1.635 1.908 0.00 0.00 +0.071 C BRANCH 23 32 ATOM 24 C LIG 1 2.709 0.155 -2.440 0.00 0.00 +0.052 A ATOM 25 C LIG 1 2.238 0.673 -1.225 0.00 0.00 +0.029 A ATOM 26 C LIG 1 3.039 0.572 -0.068 0.00 0.00 +0.004 A ATOM 27 C LIG 1 4.289 -0.037 -0.177 0.00 0.00 +0.047 A ATOM 28 N LIG 1 4.863 -0.010 1.073 0.00 0.00 -0.360 N ATOM 29 H LIG 1 5.773 -0.389 1.295 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 4.021 0.594 1.966 0.00 0.00 +0.087 A ATOM 31 C LIG 1 4.781 -0.555 -1.381 0.00 0.00 +0.027 A ATOM 32 C LIG 1 2.869 0.963 1.300 0.00 0.00 -0.020 A ATOM 33 C LIG 1 3.966 -0.450 -2.513 0.00 0.00 +0.021 A BRANCH 24 35 ATOM 34 N LIG 1 1.222 0.324 -4.559 0.00 0.00 -0.191 NA ATOM 35 C LIG 1 1.891 0.247 -3.613 0.00 0.00 +0.099 C ENDBRANCH 24 35 ENDBRANCH 23 32 ENDBRANCH 1 23 TORSDOF 9