REMARK Name = BDB013682 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.501 0.575 0.139 0.00 0.00 +0.147 A ATOM 2 C LIG 1 -1.990 -0.655 0.817 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -3.022 -0.523 1.737 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -3.509 -1.646 2.422 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.966 -2.906 2.172 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.944 -3.046 1.235 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -3.617 0.802 1.975 0.00 0.00 +0.275 A ATOM 8 O LIG 1 -4.502 0.923 2.820 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 -3.128 1.844 1.198 0.00 0.00 -0.230 N ATOM 10 C LIG 1 -3.652 3.185 1.375 0.00 0.00 +0.176 C ATOM 11 C LIG 1 -1.457 -1.926 0.555 0.00 0.00 +0.012 A ATOM 12 N LIG 1 -2.071 1.732 0.334 0.00 0.00 -0.153 NA ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -0.417 0.488 -0.710 0.00 0.00 -0.326 N ATOM 14 H LIG 1 0.257 -0.257 -0.538 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 0.272 1.673 -1.208 0.00 0.00 +0.118 C BRANCH 15 16 ATOM 16 C LIG 1 1.534 1.232 -1.984 0.00 0.00 +0.103 C BRANCH 16 17 ATOM 17 N LIG 1 2.325 0.180 -1.287 0.00 0.00 -0.301 NA BRANCH 17 19 ATOM 18 C LIG 1 3.126 -1.939 -2.225 0.00 0.00 +0.020 C ATOM 19 C LIG 1 3.295 -0.425 -2.220 0.00 0.00 +0.081 C ENDBRANCH 17 19 BRANCH 17 20 ATOM 20 C LIG 1 2.985 0.728 -0.085 0.00 0.00 +0.081 C ATOM 21 C LIG 1 3.620 -0.347 0.792 0.00 0.00 +0.020 C ENDBRANCH 17 20 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 1 13 TORSDOF 6