REMARK Name = BDB011665 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.949 -1.405 0.698 0.00 0.00 +0.177 C ATOM 2 C LIG 1 0.023 -1.433 -0.527 0.00 0.00 +0.242 C ATOM 3 O LIG 1 0.242 -2.289 -1.400 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 -1.184 -0.710 -0.518 0.00 0.00 -0.264 N ATOM 5 C LIG 1 -1.299 0.729 -0.224 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.320 1.542 0.420 0.00 0.00 +0.058 A ATOM 7 C LIG 1 -0.575 2.918 0.642 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -1.733 3.539 0.195 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -2.674 2.784 -0.469 0.00 0.00 +0.002 A ATOM 10 N LIG 1 0.874 1.022 0.991 0.00 0.00 -0.263 N ATOM 11 C LIG 1 2.115 1.674 1.114 0.00 0.00 +0.251 C ATOM 12 O LIG 1 2.998 1.266 1.875 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 -2.455 1.416 -0.665 0.00 0.00 +0.025 A ATOM 14 C LIG 1 0.724 -0.256 1.650 0.00 0.00 +0.145 C ENDROOT BRANCH 11 15 ATOM 15 C LIG 1 2.463 2.859 0.280 0.00 0.00 +0.037 A ATOM 16 C LIG 1 2.143 2.941 -1.083 0.00 0.00 +0.016 A ATOM 17 C LIG 1 2.517 4.064 -1.824 0.00 0.00 +0.039 A ATOM 18 C LIG 1 3.220 5.093 -1.206 0.00 0.00 +0.123 A ATOM 19 F LIG 1 3.577 6.169 -1.918 0.00 0.00 -0.205 F ATOM 20 C LIG 1 3.565 5.017 0.139 0.00 0.00 +0.039 A ATOM 21 C LIG 1 3.194 3.896 0.882 0.00 0.00 +0.016 A ENDBRANCH 11 15 BRANCH 1 23 ATOM 22 C LIG 1 3.058 -0.922 -0.550 0.00 0.00 +0.230 C ATOM 23 N LIG 1 2.360 -1.671 0.385 0.00 0.00 -0.301 N ATOM 24 H LIG 1 2.919 -2.084 1.120 0.00 0.00 +0.150 HD ATOM 25 O LIG 1 2.513 -0.148 -1.329 0.00 0.00 -0.274 OA BRANCH 22 26 ATOM 26 C LIG 1 4.586 -1.160 -0.488 0.00 0.00 +0.137 C ATOM 27 C LIG 1 5.315 -0.263 -1.483 0.00 0.00 +0.034 C BRANCH 26 29 ATOM 28 C LIG 1 6.066 -3.057 -0.112 0.00 0.00 +0.101 C ATOM 29 N LIG 1 4.862 -2.585 -0.777 0.00 0.00 -0.309 NA ATOM 30 H LIG 1 4.062 -3.155 -0.502 0.00 0.00 +0.122 HD ENDBRANCH 26 29 ENDBRANCH 22 26 ENDBRANCH 1 23 BRANCH 4 31 ATOM 31 C LIG 1 -2.253 -1.393 -1.292 0.00 0.00 +0.149 C BRANCH 31 32 ATOM 32 C LIG 1 -3.644 -1.498 -0.651 0.00 0.00 -0.019 A ATOM 33 C LIG 1 -3.827 -1.896 0.715 0.00 0.00 -0.013 A ATOM 34 C LIG 1 -5.128 -1.848 1.278 0.00 0.00 -0.018 A ATOM 35 C LIG 1 -5.339 -2.181 2.627 0.00 0.00 +0.008 A ATOM 36 C LIG 1 -4.288 -2.602 3.436 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -3.016 -2.711 2.898 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -6.221 -1.486 0.487 0.00 0.00 +0.009 A ATOM 39 C LIG 1 -6.059 -1.211 -0.866 0.00 0.00 +0.004 A ATOM 40 C LIG 1 -2.796 -2.370 1.560 0.00 0.00 +0.009 A ATOM 41 C LIG 1 -4.790 -1.240 -1.455 0.00 0.00 -0.045 A ATOM 42 C LIG 1 -4.702 -0.972 -2.937 0.00 0.00 +0.044 C ENDBRANCH 31 32 ENDBRANCH 4 31 TORSDOF 6