REMARK Name = BDB009957 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.140 -0.337 0.471 0.00 0.00 +0.149 A ATOM 2 C LIG 1 1.164 0.420 1.115 0.00 0.00 +0.129 A ATOM 3 C LIG 1 1.219 0.588 2.489 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.209 1.373 2.946 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 -0.499 1.702 1.883 0.00 0.00 +0.145 A ATOM 6 N LIG 1 2.152 0.045 3.287 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 3.026 -0.705 2.592 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.006 1.076 0.750 0.00 0.00 -0.315 N ATOM 9 N LIG 1 3.061 -0.920 1.262 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -1.692 2.548 1.929 0.00 0.00 +0.036 A ATOM 11 C LIG 1 -1.726 3.849 1.401 0.00 0.00 +0.052 A ATOM 12 CL LIG 1 -0.346 4.571 0.647 0.00 0.00 -0.083 Cl ATOM 13 C LIG 1 -2.897 4.611 1.475 0.00 0.00 +0.021 A ATOM 14 C LIG 1 -4.037 4.088 2.087 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -4.006 2.808 2.635 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -2.839 2.045 2.562 0.00 0.00 +0.013 A ENDBRANCH 5 10 BRANCH 1 17 ATOM 17 N LIG 1 2.182 -0.513 -0.905 0.00 0.00 -0.324 N ATOM 18 H LIG 1 2.040 0.355 -1.407 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 4.549 -0.431 -1.573 0.00 0.00 +0.028 C ATOM 20 C LIG 1 3.288 -1.290 -1.473 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 2.777 -1.822 -2.794 0.00 0.00 +0.009 C ATOM 22 C LIG 1 3.628 -1.993 -4.031 0.00 0.00 +0.005 C ATOM 23 C LIG 1 2.558 -0.935 -3.999 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 7 24 ATOM 24 C LIG 1 4.090 -1.359 3.432 0.00 0.00 +0.375 C ATOM 25 O LIG 1 4.988 -2.074 3.021 0.00 0.00 -0.242 OA BRANCH 24 26 ATOM 26 O LIG 1 3.929 -1.050 4.750 0.00 0.00 -0.475 OA ATOM 27 H LIG 1 3.148 -0.459 4.866 0.00 0.00 +0.296 HD ENDBRANCH 24 26 ENDBRANCH 7 24 BRANCH 8 28 ATOM 28 C LIG 1 -0.641 1.054 -0.555 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 C LIG 1 -1.718 -0.002 -0.637 0.00 0.00 -0.028 A ATOM 30 C LIG 1 -1.387 -1.362 -0.723 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -2.386 -2.336 -0.790 0.00 0.00 +0.013 A ATOM 32 C LIG 1 -3.739 -1.973 -0.771 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -4.071 -0.612 -0.699 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -3.072 0.362 -0.634 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 -4.828 -3.014 -0.856 0.00 0.00 +0.417 C ATOM 36 F LIG 1 -5.422 -3.042 -2.081 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -5.831 -2.799 0.041 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -4.388 -4.282 -0.624 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 9