REMARK Name = BDB065043 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.230 -1.090 -0.915 0.00 0.00 -0.016 A ATOM 2 C LIG 1 1.977 -0.687 -1.199 0.00 0.00 +0.102 A ATOM 3 N LIG 1 0.970 -0.933 -0.309 0.00 0.00 -0.250 N ATOM 4 C LIG 1 1.116 -1.586 0.874 0.00 0.00 +0.174 A ATOM 5 N LIG 1 0.027 -1.700 1.565 0.00 0.00 -0.143 NA ATOM 6 N LIG 1 -0.940 -1.077 0.790 0.00 0.00 -0.180 N ATOM 7 C LIG 1 2.467 -2.076 1.209 0.00 0.00 +0.100 A ATOM 8 C LIG 1 -0.362 -0.579 -0.403 0.00 0.00 +0.356 A ATOM 9 O LIG 1 -0.882 0.037 -1.322 0.00 0.00 -0.244 OA ATOM 10 C LIG 1 3.456 -1.829 0.325 0.00 0.00 +0.022 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.275 -1.010 1.240 0.00 0.00 +0.071 A ATOM 12 C LIG 1 -3.285 -0.413 0.468 0.00 0.00 +0.035 A ATOM 13 C LIG 1 -4.621 -0.331 0.917 0.00 0.00 -0.002 A ATOM 14 C LIG 1 -4.929 -0.904 2.162 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -3.940 -1.503 2.940 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.624 -1.552 2.483 0.00 0.00 +0.028 A BRANCH 13 17 ATOM 17 C LIG 1 -5.719 0.317 0.051 0.00 0.00 +0.144 C ATOM 18 O LIG 1 -6.874 0.623 0.873 0.00 0.00 -0.439 OA ATOM 19 C LIG 1 -6.994 1.788 1.555 0.00 0.00 +0.401 C ATOM 20 O LIG 1 -7.859 1.951 2.408 0.00 0.00 -0.226 OA ATOM 21 N LIG 1 -6.139 2.798 1.232 0.00 0.00 -0.281 N ATOM 22 H LIG 1 -6.230 3.616 1.821 0.00 0.00 +0.152 HD ATOM 23 C LIG 1 -5.023 2.673 0.340 0.00 0.00 +0.112 C ATOM 24 C LIG 1 -5.289 1.597 -0.683 0.00 0.00 +0.072 C BRANCH 17 25 ATOM 25 C LIG 1 -6.130 -0.725 -0.991 0.00 0.00 +0.038 C ATOM 26 C LIG 1 -7.507 -0.724 -1.617 0.00 0.00 +0.008 C ATOM 27 C LIG 1 -7.115 -1.829 -0.674 0.00 0.00 +0.008 C ENDBRANCH 17 25 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 7 28 ATOM 28 C LIG 1 2.597 -2.806 2.493 0.00 0.00 +0.421 C ATOM 29 F LIG 1 1.835 -3.927 2.534 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.260 -2.041 3.561 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.879 -3.212 2.709 0.00 0.00 -0.166 F ENDBRANCH 7 28 BRANCH 1 32 ATOM 32 C LIG 1 4.386 -0.876 -1.870 0.00 0.00 +0.121 C BRANCH 32 36 ATOM 33 C LIG 1 8.278 0.978 -1.360 0.00 0.00 +0.009 C ATOM 34 C LIG 1 7.186 1.190 -0.306 0.00 0.00 +0.000 C ATOM 35 C LIG 1 6.095 0.108 -0.393 0.00 0.00 +0.088 C ATOM 36 N LIG 1 5.284 0.252 -1.605 0.00 0.00 -0.298 NA ATOM 37 C LIG 1 4.614 1.555 -1.661 0.00 0.00 +0.085 C ATOM 38 C LIG 1 5.629 2.699 -1.623 0.00 0.00 +0.016 C ATOM 39 C LIG 1 6.558 2.586 -0.416 0.00 0.00 +0.006 C ENDBRANCH 32 36 ENDBRANCH 1 32 TORSDOF 6