REMARK Name = BDB038376 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.012 2.183 0.251 0.00 0.00 +0.039 A ATOM 2 C LIG 1 1.035 1.283 -0.076 0.00 0.00 +0.036 A ATOM 3 C LIG 1 0.750 0.061 -0.702 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.595 -0.233 -0.982 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -1.637 0.665 -0.679 0.00 0.00 -0.015 A ATOM 6 C LIG 1 -1.304 1.895 -0.102 0.00 0.00 +0.021 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.798 -0.847 -1.021 0.00 0.00 -0.263 N ATOM 8 C LIG 1 1.656 -2.124 -1.574 0.00 0.00 +0.251 C ATOM 9 O LIG 1 0.663 -2.762 -1.872 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.009 -2.664 -1.757 0.00 0.00 +0.042 A ATOM 11 C LIG 1 3.388 -3.888 -2.276 0.00 0.00 +0.013 A ATOM 12 C LIG 1 4.754 -4.164 -2.344 0.00 0.00 +0.001 A ATOM 13 C LIG 1 5.697 -3.220 -1.896 0.00 0.00 +0.013 A ATOM 14 C LIG 1 5.296 -1.978 -1.368 0.00 0.00 +0.060 A ATOM 15 C LIG 1 3.928 -1.722 -1.310 0.00 0.00 -0.006 A ATOM 16 C LIG 1 3.203 -0.514 -0.810 0.00 0.00 +0.150 C BRANCH 14 17 ATOM 17 C LIG 1 6.297 -0.963 -0.886 0.00 0.00 +0.418 C ATOM 18 F LIG 1 6.100 -0.629 0.419 0.00 0.00 -0.166 F ATOM 19 F LIG 1 6.222 0.203 -1.583 0.00 0.00 -0.166 F ATOM 20 F LIG 1 7.589 -1.378 -0.979 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 5 21 ATOM 21 C LIG 1 -3.053 0.307 -0.908 0.00 0.00 -0.007 A ATOM 22 C LIG 1 -4.009 0.314 0.140 0.00 0.00 +0.027 A ATOM 23 C LIG 1 -5.351 0.004 -0.127 0.00 0.00 +0.012 A ATOM 24 C LIG 1 -5.754 -0.337 -1.418 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -4.822 -0.366 -2.451 0.00 0.00 +0.001 A ATOM 26 C LIG 1 -3.485 -0.046 -2.199 0.00 0.00 +0.009 A BRANCH 22 27 ATOM 27 C LIG 1 -3.627 0.631 1.516 0.00 0.00 +0.164 A ATOM 28 N LIG 1 -3.056 -0.247 2.402 0.00 0.00 -0.317 N ATOM 29 C LIG 1 -2.795 -1.646 2.197 0.00 0.00 +0.152 C ATOM 30 C LIG 1 -2.757 0.474 3.517 0.00 0.00 +0.225 A ATOM 31 N LIG 1 -3.121 1.723 3.342 0.00 0.00 -0.138 NA ATOM 32 N LIG 1 -3.687 1.819 2.093 0.00 0.00 -0.129 NA ENDBRANCH 22 27 ENDBRANCH 5 21 BRANCH 1 36 ATOM 33 C LIG 1 -0.367 5.026 2.711 0.00 0.00 +0.128 C ATOM 34 N LIG 1 -0.627 3.907 1.843 0.00 0.00 -0.314 N ATOM 35 H LIG 1 -1.432 3.325 2.067 0.00 0.00 +0.149 HD ATOM 36 C LIG 1 0.353 3.419 1.002 0.00 0.00 +0.244 C ATOM 37 O LIG 1 1.470 3.911 0.888 0.00 0.00 -0.270 OA ENDBRANCH 1 36 TORSDOF 5