REMARK Name = BDB009930 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.602 -1.692 0.211 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.211 -1.669 0.136 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.473 -2.753 -0.384 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.820 -2.551 -0.371 0.00 0.00 -0.208 NA ATOM 5 C LIG 1 2.008 -1.355 0.154 0.00 0.00 +0.144 A ATOM 6 N LIG 1 -0.113 -3.871 -0.834 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.445 -3.835 -0.712 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.789 -0.788 0.498 0.00 0.00 -0.315 N ATOM 9 N LIG 1 -2.194 -2.821 -0.217 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.332 -0.774 0.391 0.00 0.00 +0.018 A ATOM 11 C LIG 1 4.297 -1.531 1.067 0.00 0.00 +0.015 A ATOM 12 C LIG 1 5.577 -1.018 1.314 0.00 0.00 +0.046 A ATOM 13 C LIG 1 5.914 0.262 0.875 0.00 0.00 +0.130 A ATOM 14 C LIG 1 4.961 1.012 0.180 0.00 0.00 +0.046 A ATOM 15 C LIG 1 3.683 0.498 -0.068 0.00 0.00 +0.015 A BRANCH 13 16 ATOM 16 O LIG 1 7.114 0.890 1.043 0.00 0.00 -0.406 OA BRANCH 16 17 ATOM 17 C LIG 1 8.129 0.199 1.750 0.00 0.00 +0.575 C ATOM 18 F LIG 1 8.477 -0.941 1.115 0.00 0.00 -0.133 F ATOM 19 F LIG 1 7.737 -0.086 3.010 0.00 0.00 -0.133 F ATOM 20 F LIG 1 9.222 0.991 1.820 0.00 0.00 -0.133 F ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 5 10 BRANCH 1 21 ATOM 21 N LIG 1 -2.347 -0.629 0.703 0.00 0.00 -0.324 N ATOM 22 H LIG 1 -1.945 0.256 0.418 0.00 0.00 +0.148 HD BRANCH 21 24 ATOM 23 C LIG 1 -4.524 -1.687 1.336 0.00 0.00 +0.028 C ATOM 24 C LIG 1 -3.806 -0.582 0.570 0.00 0.00 +0.072 C BRANCH 24 25 ATOM 25 C LIG 1 -4.217 -0.504 -0.877 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -3.955 0.747 -1.683 0.00 0.00 +0.005 C ATOM 27 C LIG 1 -5.364 0.377 -1.308 0.00 0.00 +0.005 C ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 1 21 BRANCH 7 28 ATOM 28 C LIG 1 -2.180 -5.061 -1.190 0.00 0.00 +0.375 C ATOM 29 O LIG 1 -1.691 -6.081 -1.646 0.00 0.00 -0.242 OA BRANCH 28 30 ATOM 30 O LIG 1 -3.526 -4.957 -1.080 0.00 0.00 -0.475 OA ATOM 31 H LIG 1 -3.852 -5.816 -1.419 0.00 0.00 +0.296 HD ENDBRANCH 28 30 ENDBRANCH 7 28 BRANCH 8 32 ATOM 32 C LIG 1 0.606 0.440 1.261 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 C LIG 1 0.117 1.622 0.448 0.00 0.00 -0.028 A ATOM 34 C LIG 1 -0.378 2.737 1.143 0.00 0.00 +0.006 A ATOM 35 C LIG 1 -0.855 3.859 0.460 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.837 3.900 -0.940 0.00 0.00 +0.055 A ATOM 37 C LIG 1 -0.341 2.792 -1.639 0.00 0.00 +0.013 A ATOM 38 C LIG 1 0.136 1.670 -0.954 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 -1.377 5.099 -1.683 0.00 0.00 +0.417 C ATOM 40 F LIG 1 -0.757 5.312 -2.876 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -2.703 4.972 -1.965 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.252 6.261 -0.984 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 11