REMARK Name = BDB041091 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.709 -0.554 -1.066 0.00 0.00 +0.169 A ATOM 2 N LIG 1 -4.026 -1.371 -2.092 0.00 0.00 -0.224 NA ATOM 3 C LIG 1 -2.953 -1.773 -2.802 0.00 0.00 +0.115 A ATOM 4 C LIG 1 -1.659 -1.395 -2.493 0.00 0.00 +0.192 A ATOM 5 O LIG 1 -0.777 -1.959 -3.367 0.00 0.00 -0.458 OA ATOM 6 C LIG 1 -1.520 -2.690 -4.245 0.00 0.00 +0.198 A ATOM 7 C LIG 1 -1.390 -0.564 -1.413 0.00 0.00 +0.166 A ATOM 8 C LIG 1 -2.861 -2.609 -3.937 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -2.464 -0.157 -0.695 0.00 0.00 -0.209 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 -5.803 0.746 -0.706 0.00 0.00 +0.229 A ATOM 11 C LIG 1 -4.807 -0.097 -0.230 0.00 0.00 +0.102 A ATOM 12 C LIG 1 -4.934 -0.474 1.107 0.00 0.00 +0.062 A ATOM 13 N LIG 1 -5.964 -0.029 1.876 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 -6.860 0.778 1.299 0.00 0.00 +0.225 A ATOM 15 N LIG 1 -6.837 1.195 0.033 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 -3.932 -1.395 1.784 0.00 0.00 +0.039 C ATOM 17 C LIG 1 -4.411 -2.475 2.730 0.00 0.00 +0.010 C ATOM 18 C LIG 1 -3.856 -2.854 1.391 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 -6.782 2.003 -2.439 0.00 0.00 +0.279 C ATOM 20 O LIG 1 -5.702 1.176 -2.019 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 7 21 ATOM 21 N LIG 1 -0.099 -0.164 -1.081 0.00 0.00 -0.322 N ATOM 22 H LIG 1 0.607 -0.768 -1.490 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 0.109 0.191 0.309 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 1.579 0.465 0.530 0.00 0.00 -0.030 A ATOM 25 C LIG 1 2.407 -0.492 1.132 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.768 -0.234 1.323 0.00 0.00 +0.012 A ATOM 27 C LIG 1 4.330 0.978 0.900 0.00 0.00 +0.017 A ATOM 28 C LIG 1 3.500 1.937 0.308 0.00 0.00 +0.012 A ATOM 29 C LIG 1 2.140 1.681 0.115 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 5.750 1.276 1.089 0.00 0.00 +0.141 A ATOM 31 N LIG 1 6.800 0.480 0.678 0.00 0.00 -0.333 N ATOM 32 C LIG 1 6.715 -0.752 -0.068 0.00 0.00 +0.150 C ATOM 33 C LIG 1 7.969 1.092 1.040 0.00 0.00 +0.119 A ATOM 34 C LIG 1 7.604 2.283 1.641 0.00 0.00 +0.162 A ATOM 35 N LIG 1 6.219 2.380 1.643 0.00 0.00 -0.224 NA BRANCH 34 36 ATOM 36 C LIG 1 8.485 3.354 2.215 0.00 0.00 +0.436 C ATOM 37 F LIG 1 8.285 4.562 1.625 0.00 0.00 -0.164 F ATOM 38 F LIG 1 8.293 3.524 3.549 0.00 0.00 -0.164 F ATOM 39 F LIG 1 9.806 3.062 2.052 0.00 0.00 -0.164 F ENDBRANCH 34 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 8