REMARK Name = BDB013654 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.329 0.085 -0.515 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -3.790 -0.388 0.683 0.00 0.00 +0.059 A ATOM 3 C LIG 1 -2.403 -0.523 0.836 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -1.548 -0.202 -0.209 0.00 0.00 +0.029 A ATOM 5 C LIG 1 -0.086 -0.385 0.001 0.00 0.00 +0.147 A ATOM 6 N LIG 1 0.388 -0.745 1.160 0.00 0.00 -0.153 NA ATOM 7 N LIG 1 -0.456 -0.995 2.208 0.00 0.00 -0.230 N ATOM 8 C LIG 1 0.182 -1.444 3.431 0.00 0.00 +0.176 C ATOM 9 C LIG 1 -2.083 0.293 -1.406 0.00 0.00 +0.016 A ATOM 10 C LIG 1 -1.842 -0.980 2.117 0.00 0.00 +0.275 A ATOM 11 O LIG 1 -2.600 -1.305 3.027 0.00 0.00 -0.266 OA ATOM 12 C LIG 1 -3.469 0.432 -1.557 0.00 0.00 +0.046 A ENDROOT BRANCH 1 14 ATOM 13 C LIG 1 -6.295 0.648 -1.732 0.00 0.00 +0.277 C ATOM 14 O LIG 1 -5.692 0.171 -0.535 0.00 0.00 -0.495 OA ENDBRANCH 1 14 BRANCH 5 15 ATOM 15 N LIG 1 0.776 -0.174 -1.063 0.00 0.00 -0.326 N ATOM 16 H LIG 1 0.402 -0.402 -1.976 0.00 0.00 +0.148 HD BRANCH 15 17 ATOM 17 C LIG 1 2.211 -0.455 -0.973 0.00 0.00 +0.118 C BRANCH 17 18 ATOM 18 C LIG 1 2.958 0.645 -0.189 0.00 0.00 +0.102 C BRANCH 18 19 ATOM 19 N LIG 1 4.430 0.486 -0.194 0.00 0.00 -0.307 NA ATOM 20 C LIG 1 5.021 1.327 0.852 0.00 0.00 +0.104 C ATOM 21 C LIG 1 5.010 0.838 -1.492 0.00 0.00 +0.104 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 5 15 TORSDOF 5