REMARK Name = BDB037742 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.151 2.719 0.807 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.858 1.592 0.363 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.592 0.271 0.711 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.248 -0.479 -0.316 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -1.937 0.344 -1.135 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.278 0.038 1.918 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.451 1.052 1.854 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -1.945 1.530 -0.493 0.00 0.00 -0.217 N ATOM 9 C LIG 1 0.974 2.505 1.630 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.663 3.446 2.039 0.00 0.00 -0.273 OA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -3.072 2.385 -0.629 0.00 0.00 +0.067 A ATOM 12 C LIG 1 -3.861 2.305 -1.786 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.999 3.104 -1.912 0.00 0.00 +0.002 A ATOM 14 C LIG 1 -5.364 3.968 -0.881 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -4.600 4.028 0.284 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.460 3.232 0.418 0.00 0.00 +0.028 A ENDBRANCH 8 11 BRANCH 7 17 ATOM 17 N LIG 1 2.423 0.738 0.799 0.00 0.00 -0.299 N ATOM 18 H LIG 1 2.128 0.861 -0.160 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 3.589 0.060 1.072 0.00 0.00 +0.245 C ATOM 20 O LIG 1 3.915 -0.306 2.195 0.00 0.00 -0.270 OA BRANCH 19 21 ATOM 21 C LIG 1 4.449 -0.267 -0.097 0.00 0.00 +0.037 A ATOM 22 C LIG 1 5.238 -1.424 -0.039 0.00 0.00 +0.025 A ATOM 23 C LIG 1 6.069 -1.778 -1.114 0.00 0.00 +0.056 A ATOM 24 C LIG 1 6.092 -0.956 -2.251 0.00 0.00 +0.012 A ATOM 25 C LIG 1 5.320 0.206 -2.305 0.00 0.00 +0.001 A ATOM 26 C LIG 1 4.502 0.555 -1.229 0.00 0.00 +0.013 A BRANCH 23 27 ATOM 27 C LIG 1 6.893 -3.041 -1.059 0.00 0.00 +0.417 C ATOM 28 F LIG 1 6.198 -4.129 -1.490 0.00 0.00 -0.166 F ATOM 29 F LIG 1 8.011 -2.982 -1.836 0.00 0.00 -0.166 F ATOM 30 F LIG 1 7.328 -3.345 0.194 0.00 0.00 -0.166 F ENDBRANCH 23 27 ENDBRANCH 19 21 ENDBRANCH 7 17 BRANCH 4 31 ATOM 31 C LIG 1 -1.214 -1.904 -0.675 0.00 0.00 +0.268 C ATOM 32 N LIG 1 -2.398 -2.641 -0.485 0.00 0.00 -0.280 N ATOM 33 O LIG 1 -0.210 -2.402 -1.182 0.00 0.00 -0.268 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.528 -2.143 0.272 0.00 0.00 +0.078 C ATOM 35 C LIG 1 -4.560 -1.249 -0.365 0.00 0.00 +0.024 C ATOM 36 C LIG 1 -4.943 -2.627 0.068 0.00 0.00 +0.024 C ENDBRANCH 32 34 BRANCH 32 37 ATOM 37 C LIG 1 -2.353 -4.068 -0.810 0.00 0.00 +0.227 C BRANCH 37 38 ATOM 38 C LIG 1 -2.154 -4.911 0.380 0.00 0.00 +0.082 C ATOM 39 N LIG 1 -2.023 -5.572 1.327 0.00 0.00 -0.195 NA ENDBRANCH 37 38 ENDBRANCH 32 37 ENDBRANCH 4 31 BRANCH 6 40 ATOM 40 C LIG 1 0.765 -1.289 2.446 0.00 0.00 -0.001 C ATOM 41 C LIG 1 1.285 -2.417 1.603 0.00 0.00 +0.004 C ATOM 42 C LIG 1 -0.008 -2.575 2.366 0.00 0.00 +0.004 C ENDBRANCH 6 40 BRANCH 1 44 ATOM 43 C LIG 1 0.655 4.207 -1.000 0.00 0.00 +0.025 C ATOM 44 C LIG 1 -0.254 4.058 0.214 0.00 0.00 +0.112 C ENDBRANCH 1 44 TORSDOF 10