REMARK Name = BDB020011 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.175 0.082 -1.313 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.280 -0.375 -0.586 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.309 0.505 -0.228 0.00 0.00 -0.013 A ATOM 4 C LIG 1 -2.223 1.851 -0.608 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -1.137 2.317 -1.365 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.119 1.419 -1.720 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.444 0.031 0.541 0.00 0.00 +0.032 A ATOM 8 C LIG 1 -4.850 0.191 0.350 0.00 0.00 +0.173 A ATOM 9 N LIG 1 -5.539 -0.410 1.344 0.00 0.00 -0.166 NA ATOM 10 N LIG 1 -4.593 -0.964 2.126 0.00 0.00 -0.268 N ATOM 11 C LIG 1 -3.324 -0.722 1.689 0.00 0.00 +0.117 A BRANCH 8 12 ATOM 12 C LIG 1 -5.531 0.916 -0.778 0.00 0.00 +0.437 C ATOM 13 F LIG 1 -4.995 0.602 -1.990 0.00 0.00 -0.164 F ATOM 14 F LIG 1 -6.863 0.657 -0.872 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -5.411 2.269 -0.651 0.00 0.00 -0.164 F ENDBRANCH 8 12 BRANCH 10 16 ATOM 16 C LIG 1 -4.970 -1.730 3.310 0.00 0.00 +0.101 C ATOM 17 C LIG 1 -5.703 -0.859 4.330 0.00 0.00 +0.032 C ATOM 18 C LIG 1 -5.790 -2.966 2.939 0.00 0.00 +0.032 C ENDBRANCH 10 16 ENDBRANCH 3 7 BRANCH 1 21 ATOM 19 N LIG 1 2.168 -0.344 -1.825 0.00 0.00 -0.304 N ATOM 20 H LIG 1 2.331 0.619 -1.565 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 0.914 -0.883 -1.632 0.00 0.00 +0.245 C ATOM 22 O LIG 1 0.673 -2.084 -1.678 0.00 0.00 -0.270 OA BRANCH 19 23 ATOM 23 C LIG 1 3.333 -1.192 -1.958 0.00 0.00 +0.107 C BRANCH 23 30 ATOM 24 C LIG 1 4.577 -4.641 1.516 0.00 0.00 +0.047 C ATOM 25 C LIG 1 4.536 -3.212 1.067 0.00 0.00 -0.015 A ATOM 26 C LIG 1 4.977 -2.193 1.910 0.00 0.00 +0.126 A ATOM 27 F LIG 1 5.474 -2.493 3.119 0.00 0.00 -0.205 F ATOM 28 C LIG 1 4.910 -0.859 1.526 0.00 0.00 +0.039 A ATOM 29 C LIG 1 4.385 -0.523 0.278 0.00 0.00 +0.008 A ATOM 30 C LIG 1 3.925 -1.524 -0.596 0.00 0.00 -0.027 A ATOM 31 C LIG 1 3.998 -2.866 -0.181 0.00 0.00 +0.011 A ENDBRANCH 23 30 BRANCH 23 32 ATOM 32 C LIG 1 4.349 -0.489 -2.826 0.00 0.00 +0.014 C ATOM 33 C LIG 1 5.341 -1.282 -3.644 0.00 0.00 +0.006 C ATOM 34 C LIG 1 4.225 -0.545 -4.331 0.00 0.00 +0.006 C ENDBRANCH 23 32 ENDBRANCH 19 23 ENDBRANCH 1 21 BRANCH 5 35 ATOM 35 C LIG 1 -1.026 3.775 -1.751 0.00 0.00 +0.159 C BRANCH 35 36 ATOM 36 N LIG 1 -0.348 4.534 -0.715 0.00 0.00 -0.322 N ATOM 37 C LIG 1 1.028 4.582 -0.629 0.00 0.00 +0.166 A ATOM 38 N LIG 1 1.936 4.047 -1.362 0.00 0.00 -0.277 NA ATOM 39 H LIG 1 2.835 4.341 -0.961 0.00 0.00 +0.189 HD ATOM 40 S LIG 1 1.502 5.572 0.770 0.00 0.00 -0.059 S ATOM 41 C LIG 1 -0.179 5.846 1.172 0.00 0.00 +0.066 A ATOM 42 C LIG 1 -0.989 5.233 0.297 0.00 0.00 +0.095 A ENDBRANCH 35 36 ENDBRANCH 5 35 TORSDOF 9