REMARK Name = BDB049077 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.932 -2.029 1.994 0.00 0.00 +0.044 C ATOM 2 C LIG 1 1.096 -1.641 0.808 0.00 0.00 -0.038 A ATOM 3 C LIG 1 1.587 -1.651 -0.507 0.00 0.00 +0.040 A ATOM 4 C LIG 1 0.743 -1.332 -1.578 0.00 0.00 +0.013 A ATOM 5 C LIG 1 -0.585 -0.960 -1.347 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -1.100 -0.916 -0.044 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -0.238 -1.249 1.019 0.00 0.00 +0.008 A ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 -2.531 -0.499 0.274 0.00 0.00 +0.051 C ATOM 9 C LIG 1 -3.393 -1.603 0.959 0.00 0.00 +0.079 C ATOM 10 C LIG 1 -4.845 -1.298 0.496 0.00 0.00 +0.104 C ATOM 11 N LIG 1 -4.755 -0.091 -0.334 0.00 0.00 -0.296 NA ATOM 12 C LIG 1 -3.418 -0.126 -0.925 0.00 0.00 +0.094 C BRANCH 9 13 ATOM 13 N LIG 1 -3.174 -1.805 2.411 0.00 0.00 -0.304 NA ATOM 14 C LIG 1 -3.555 -0.659 3.237 0.00 0.00 +0.104 C ATOM 15 C LIG 1 -3.845 -3.015 2.888 0.00 0.00 +0.104 C ENDBRANCH 9 13 BRANCH 11 16 ATOM 16 C LIG 1 -5.849 0.008 -1.303 0.00 0.00 +0.122 C BRANCH 16 17 ATOM 17 C LIG 1 -5.942 1.373 -1.950 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -6.435 2.440 -1.181 0.00 0.00 +0.128 A ATOM 19 F LIG 1 -6.838 2.227 0.082 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -6.538 3.730 -1.693 0.00 0.00 +0.039 A ATOM 21 C LIG 1 -6.147 3.982 -3.003 0.00 0.00 +0.003 A ATOM 22 C LIG 1 -5.662 2.938 -3.793 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -5.555 1.629 -3.285 0.00 0.00 -0.043 A ATOM 24 C LIG 1 -5.037 0.545 -4.191 0.00 0.00 +0.044 C ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 6 8 BRANCH 3 25 ATOM 25 C LIG 1 2.995 -1.984 -0.844 0.00 0.00 +0.244 C ATOM 26 N LIG 1 3.945 -1.260 -0.154 0.00 0.00 -0.311 N ATOM 27 H LIG 1 3.617 -0.416 0.300 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 3.244 -2.804 -1.718 0.00 0.00 -0.270 OA BRANCH 26 29 ATOM 29 C LIG 1 5.344 -1.329 -0.529 0.00 0.00 +0.106 C BRANCH 29 30 ATOM 30 C LIG 1 6.268 -0.842 0.586 0.00 0.00 +0.037 C BRANCH 30 31 ATOM 31 C LIG 1 6.258 0.682 0.773 0.00 0.00 +0.058 C ATOM 32 N LIG 1 6.707 1.521 -0.360 0.00 0.00 -0.302 NA ATOM 33 C LIG 1 7.936 1.052 -1.007 0.00 0.00 +0.105 C ATOM 34 C LIG 1 6.921 2.846 0.249 0.00 0.00 +0.084 C ATOM 35 C LIG 1 7.502 2.578 1.631 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.112 1.140 1.960 0.00 0.00 +0.020 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 3 25 TORSDOF 8