REMARK Name = BDB000936 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.009 -0.210 -1.070 0.00 0.00 +0.126 A ATOM 2 N LIG 1 0.796 0.060 0.003 0.00 0.00 -0.340 N ATOM 3 H LIG 1 0.481 0.296 0.937 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 2.102 -0.043 -0.407 0.00 0.00 +0.078 A ATOM 5 C LIG 1 2.010 -0.392 -1.748 0.00 0.00 +0.090 A ATOM 6 C LIG 1 3.185 -0.592 -2.486 0.00 0.00 +0.030 A ATOM 7 C LIG 1 4.420 -0.441 -1.842 0.00 0.00 +0.003 A ATOM 8 C LIG 1 4.486 -0.087 -0.490 0.00 0.00 +0.015 A ATOM 9 C LIG 1 3.319 0.135 0.263 0.00 0.00 +0.062 A ATOM 10 N LIG 1 0.698 -0.488 -2.146 0.00 0.00 -0.231 NA ENDROOT BRANCH 9 11 ATOM 11 C LIG 1 3.317 0.517 1.697 0.00 0.00 +0.244 C ATOM 12 O LIG 1 2.296 0.455 2.373 0.00 0.00 -0.270 OA ATOM 13 N LIG 1 4.483 0.983 2.237 0.00 0.00 -0.325 N ATOM 14 H LIG 1 4.418 1.348 3.179 0.00 0.00 +0.145 HD ATOM 15 H LIG 1 5.254 1.305 1.670 0.00 0.00 +0.145 HD ENDBRANCH 9 11 BRANCH 1 17 ATOM 16 N LIG 1 -2.077 0.553 0.164 0.00 0.00 -0.290 NA ATOM 17 C LIG 1 -1.575 -0.210 -1.017 0.00 0.00 +0.124 C ATOM 18 C LIG 1 -2.240 0.808 -1.952 0.00 0.00 +0.042 C ATOM 19 C LIG 1 -2.386 1.703 -0.721 0.00 0.00 +0.087 C BRANCH 16 21 ATOM 20 C LIG 1 -3.930 0.877 1.770 0.00 0.00 +0.024 C ATOM 21 C LIG 1 -3.300 -0.058 0.725 0.00 0.00 +0.051 C ATOM 22 C LIG 1 -2.951 -1.375 1.438 0.00 0.00 +0.024 C ENDBRANCH 16 21 ENDBRANCH 1 17 TORSDOF 3