REMARK Name = BDB032066 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.556 -0.145 -2.096 0.00 0.00 +0.241 C ENDROOT BRANCH 1 9 ATOM 2 C LIG 1 -5.461 0.831 0.295 0.00 0.00 +0.153 C ATOM 3 N LIG 1 -4.133 0.438 -0.121 0.00 0.00 -0.302 N ATOM 4 C LIG 1 -3.608 -0.747 0.413 0.00 0.00 +0.264 A ATOM 5 O LIG 1 -4.197 -1.474 1.206 0.00 0.00 -0.267 OA ATOM 6 C LIG 1 -2.287 -1.029 -0.070 0.00 0.00 +0.103 A ATOM 7 C LIG 1 -1.349 -2.045 0.149 0.00 0.00 +0.150 A ATOM 8 N LIG 1 -0.222 -1.846 -0.550 0.00 0.00 -0.177 NA ATOM 9 N LIG 1 -0.467 -0.691 -1.229 0.00 0.00 -0.237 N ATOM 10 C LIG 1 -1.699 -0.166 -0.960 0.00 0.00 +0.166 A ATOM 11 N LIG 1 -2.220 0.974 -1.468 0.00 0.00 -0.218 NA ATOM 12 C LIG 1 -3.416 1.223 -1.021 0.00 0.00 +0.204 A ENDBRANCH 1 9 BRANCH 1 13 ATOM 13 C LIG 1 1.683 0.504 -1.317 0.00 0.00 +0.239 C ATOM 14 N LIG 1 2.168 -0.262 -0.269 0.00 0.00 -0.283 N ATOM 15 H LIG 1 1.664 -1.133 -0.072 0.00 0.00 +0.155 HD ATOM 16 O LIG 1 2.140 1.588 -1.675 0.00 0.00 -0.273 OA BRANCH 14 17 ATOM 17 C LIG 1 3.229 0.038 0.620 0.00 0.00 +0.055 A ATOM 18 C LIG 1 3.515 -0.866 1.654 0.00 0.00 +0.080 A ATOM 19 CL LIG 1 2.616 -2.322 1.875 0.00 0.00 -0.080 Cl ATOM 20 C LIG 1 4.555 -0.573 2.526 0.00 0.00 +0.132 A ATOM 21 N LIG 1 5.320 0.539 2.442 0.00 0.00 -0.262 NA ATOM 22 C LIG 1 5.027 1.393 1.439 0.00 0.00 +0.112 A ATOM 23 C LIG 1 4.008 1.190 0.518 0.00 0.00 +0.044 A ENDBRANCH 14 17 ENDBRANCH 1 13 TORSDOF 3