REMARK Name = BDB002766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.961 -2.211 0.616 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -0.003 -1.251 0.317 0.00 0.00 -0.162 N ATOM 3 C LIG 1 -1.405 -1.363 0.379 0.00 0.00 +0.281 C ATOM 4 O LIG 1 -1.866 -2.451 0.734 0.00 0.00 -0.265 OA ATOM 5 N LIG 1 0.609 -0.108 -0.085 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 1.904 -0.423 0.030 0.00 0.00 +0.219 A ATOM 7 N LIG 1 2.155 -1.696 0.466 0.00 0.00 -0.190 NA ENDROOT BRANCH 3 8 ATOM 8 C LIG 1 -2.377 -0.282 0.047 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -2.107 1.077 0.260 0.00 0.00 +0.016 A ATOM 10 C LIG 1 -3.070 2.041 -0.055 0.00 0.00 +0.039 A ATOM 11 C LIG 1 -4.300 1.648 -0.568 0.00 0.00 +0.123 A ATOM 12 F LIG 1 -5.219 2.575 -0.865 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -4.593 0.305 -0.769 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -3.634 -0.662 -0.458 0.00 0.00 +0.016 A ENDBRANCH 3 8 BRANCH 6 15 ATOM 15 C LIG 1 3.049 0.587 -0.303 0.00 0.00 +0.173 A ATOM 16 O LIG 1 2.865 1.873 -0.733 0.00 0.00 -0.460 OA ATOM 17 C LIG 1 4.097 2.417 -0.909 0.00 0.00 +0.196 A ATOM 18 C LIG 1 5.077 1.505 -0.599 0.00 0.00 +0.042 A ATOM 19 C LIG 1 4.402 0.323 -0.207 0.00 0.00 +0.053 A ENDBRANCH 6 15 BRANCH 1 20 ATOM 20 N LIG 1 0.683 -3.471 0.998 0.00 0.00 -0.327 N ATOM 21 H LIG 1 -0.270 -3.722 1.269 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 1.416 -4.022 1.431 0.00 0.00 +0.145 HD ENDBRANCH 1 20 TORSDOF 3