REMARK Name = BDB041134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.207 -3.238 0.995 0.00 0.00 +0.178 A ATOM 2 C LIG 1 1.416 -2.087 0.982 0.00 0.00 +0.165 A ATOM 3 N LIG 1 1.935 -0.869 0.735 0.00 0.00 -0.209 NA ATOM 4 C LIG 1 3.258 -0.790 0.505 0.00 0.00 +0.169 A ATOM 5 N LIG 1 4.106 -1.832 0.528 0.00 0.00 -0.232 NA ATOM 6 C LIG 1 3.552 -3.038 0.766 0.00 0.00 +0.162 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.812 0.531 0.263 0.00 0.00 +0.102 A ATOM 8 C LIG 1 3.742 1.555 1.210 0.00 0.00 +0.062 A ATOM 9 N LIG 1 4.250 2.791 0.959 0.00 0.00 -0.239 NA ATOM 10 C LIG 1 4.834 2.990 -0.227 0.00 0.00 +0.225 A ATOM 11 N LIG 1 4.957 2.086 -1.199 0.00 0.00 -0.201 NA ATOM 12 C LIG 1 4.438 0.869 -0.929 0.00 0.00 +0.229 A BRANCH 8 13 ATOM 13 C LIG 1 3.094 1.354 2.570 0.00 0.00 +0.039 C ATOM 14 C LIG 1 3.758 0.469 3.602 0.00 0.00 +0.010 C ATOM 15 C LIG 1 3.722 1.953 3.809 0.00 0.00 +0.010 C ENDBRANCH 8 13 BRANCH 12 16 ATOM 16 O LIG 1 4.494 -0.096 -1.921 0.00 0.00 -0.479 OA ATOM 17 C LIG 1 5.220 0.306 -3.077 0.00 0.00 +0.279 C ENDBRANCH 12 16 ENDBRANCH 4 7 BRANCH 1 19 ATOM 18 C LIG 1 2.378 -5.605 1.081 0.00 0.00 +0.277 C ATOM 19 O LIG 1 1.596 -4.431 1.267 0.00 0.00 -0.490 OA ENDBRANCH 1 19 BRANCH 2 20 ATOM 20 N LIG 1 0.022 -2.224 1.154 0.00 0.00 -0.326 N ATOM 21 H LIG 1 -0.142 -2.933 1.866 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -0.734 -0.996 1.384 0.00 0.00 +0.106 C BRANCH 22 23 ATOM 23 C LIG 1 -1.123 -0.319 0.061 0.00 0.00 +0.009 C ATOM 24 C LIG 1 -2.151 -1.157 -0.717 0.00 0.00 +0.024 C ATOM 25 C LIG 1 -2.630 -0.430 -1.973 0.00 0.00 +0.108 C ATOM 26 N LIG 1 -3.126 0.926 -1.673 0.00 0.00 -0.301 N ATOM 27 C LIG 1 -2.135 1.754 -0.969 0.00 0.00 +0.108 C ATOM 28 C LIG 1 -1.684 1.085 0.329 0.00 0.00 +0.024 C BRANCH 26 29 ATOM 29 C LIG 1 -4.418 1.009 -1.250 0.00 0.00 +0.198 A ATOM 30 N LIG 1 -5.192 2.125 -1.473 0.00 0.00 -0.321 N ATOM 31 C LIG 1 -4.829 3.296 -2.233 0.00 0.00 +0.151 C ATOM 32 C LIG 1 -6.426 1.905 -0.923 0.00 0.00 +0.120 A ATOM 33 C LIG 1 -6.383 0.620 -0.412 0.00 0.00 +0.163 A ATOM 34 N LIG 1 -5.127 0.080 -0.650 0.00 0.00 -0.210 NA BRANCH 33 35 ATOM 35 C LIG 1 -7.463 -0.148 0.286 0.00 0.00 +0.436 C ATOM 36 F LIG 1 -8.604 0.586 0.418 0.00 0.00 -0.164 F ATOM 37 F LIG 1 -7.104 -0.523 1.543 0.00 0.00 -0.164 F ATOM 38 F LIG 1 -7.813 -1.280 -0.382 0.00 0.00 -0.164 F ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 2 20 TORSDOF 9