REMARK Name = BDB005558 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.329 -0.676 -0.323 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.101 -0.175 -0.776 0.00 0.00 +0.057 A ATOM 3 C LIG 1 -1.043 -0.188 0.037 0.00 0.00 +0.023 A ATOM 4 C LIG 1 -0.929 -0.750 1.316 0.00 0.00 +0.051 A ATOM 5 N LIG 1 -2.054 -0.834 2.141 0.00 0.00 -0.322 N ATOM 6 H LIG 1 -1.989 -1.251 3.059 0.00 0.00 +0.169 HD ATOM 7 C LIG 1 -3.298 -0.414 1.769 0.00 0.00 +0.254 A ATOM 8 C LIG 1 -3.426 0.203 0.422 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -4.796 0.688 0.026 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -4.904 0.990 -1.473 0.00 0.00 +0.023 C ATOM 11 C LIG 1 -3.672 1.740 -1.964 0.00 0.00 +0.102 C ATOM 12 N LIG 1 -2.475 0.978 -1.626 0.00 0.00 -0.343 N ATOM 13 H LIG 1 -1.617 1.428 -1.931 0.00 0.00 +0.146 HD ATOM 14 O LIG 1 -4.259 -0.528 2.525 0.00 0.00 -0.268 OA ATOM 15 C LIG 1 0.289 -1.248 1.782 0.00 0.00 +0.030 A ATOM 16 C LIG 1 -2.360 0.340 -0.393 0.00 0.00 +0.045 A ATOM 17 C LIG 1 1.420 -1.204 0.963 0.00 0.00 +0.048 A ENDROOT BRANCH 1 18 ATOM 18 O LIG 1 2.346 -0.577 -1.231 0.00 0.00 -0.490 OA BRANCH 18 19 ATOM 19 C LIG 1 3.617 -1.138 -0.902 0.00 0.00 +0.257 C BRANCH 19 20 ATOM 20 C LIG 1 4.492 -0.132 -0.160 0.00 0.00 +0.200 C BRANCH 20 22 ATOM 21 C LIG 1 6.608 0.162 0.835 0.00 0.00 +0.194 C ATOM 22 O LIG 1 5.739 -0.745 0.167 0.00 0.00 -0.380 OA ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 4