REMARK Name = BDB009370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.375 0.538 0.219 0.00 0.00 +0.081 A ATOM 2 C LIG 1 1.103 1.863 0.590 0.00 0.00 +0.145 A ATOM 3 F LIG 1 1.925 2.863 0.241 0.00 0.00 -0.204 F ATOM 4 C LIG 1 -0.081 2.215 1.236 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -1.036 1.245 1.524 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.813 -0.085 1.154 0.00 0.00 -0.040 A ATOM 7 C LIG 1 0.383 -0.422 0.491 0.00 0.00 +0.031 A ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 4.833 0.143 -1.171 0.00 0.00 +0.164 C ATOM 9 C LIG 1 3.810 0.796 -0.234 0.00 0.00 +0.248 C ATOM 10 O LIG 1 4.099 1.698 0.543 0.00 0.00 -0.273 OA ATOM 11 N LIG 1 2.592 0.170 -0.416 0.00 0.00 -0.190 N ATOM 12 C LIG 1 2.746 -0.895 -1.270 0.00 0.00 +0.314 C ATOM 13 O LIG 1 1.915 -1.678 -1.702 0.00 0.00 -0.252 OA ATOM 14 N LIG 1 4.065 -0.966 -1.663 0.00 0.00 -0.287 N ATOM 15 H LIG 1 4.329 -1.582 -2.420 0.00 0.00 +0.151 HD BRANCH 8 17 ATOM 16 C LIG 1 7.076 0.890 -0.257 0.00 0.00 +0.009 C ATOM 17 C LIG 1 6.155 -0.301 -0.529 0.00 0.00 +0.012 C ATOM 18 C LIG 1 5.966 -1.126 0.747 0.00 0.00 +0.009 C ENDBRANCH 8 17 ENDBRANCH 1 11 BRANCH 6 19 ATOM 19 C LIG 1 -1.854 -1.147 1.431 0.00 0.00 +0.094 C BRANCH 19 20 ATOM 20 C LIG 1 -2.821 -1.322 0.268 0.00 0.00 +0.087 A ATOM 21 C LIG 1 -4.077 -0.492 0.216 0.00 0.00 +0.059 A ATOM 22 N LIG 1 -4.461 0.338 1.268 0.00 0.00 -0.342 N ATOM 23 H LIG 1 -4.159 0.016 2.183 0.00 0.00 +0.146 HD ATOM 24 C LIG 1 -5.795 0.933 1.284 0.00 0.00 +0.102 C ATOM 25 C LIG 1 -6.171 1.380 -0.125 0.00 0.00 +0.023 C ATOM 26 C LIG 1 -6.052 0.219 -1.120 0.00 0.00 +0.044 C ATOM 27 C LIG 1 -4.803 -0.591 -0.909 0.00 0.00 +0.041 A ATOM 28 C LIG 1 -4.408 -1.534 -1.979 0.00 0.00 +0.270 A ATOM 29 O LIG 1 -5.061 -1.647 -3.012 0.00 0.00 -0.266 OA ATOM 30 N LIG 1 -3.294 -2.290 -1.732 0.00 0.00 -0.243 N ATOM 31 H LIG 1 -2.993 -2.929 -2.461 0.00 0.00 +0.192 HD ATOM 32 N LIG 1 -2.478 -2.178 -0.650 0.00 0.00 -0.174 NA ENDBRANCH 19 20 ENDBRANCH 6 19 TORSDOF 4