REMARK Name = BDB035323 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.670 -0.319 1.730 0.00 0.00 +0.141 A ATOM 2 N LIG 1 -0.846 -0.097 3.059 0.00 0.00 -0.234 NA ATOM 3 C LIG 1 -2.034 -0.365 3.656 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -3.096 -0.888 2.929 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -2.938 -1.160 1.572 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -1.698 -0.883 0.984 0.00 0.00 +0.055 A ENDROOT BRANCH 1 16 ATOM 7 C LIG 1 4.001 1.208 2.542 0.00 0.00 +0.047 C ATOM 8 C LIG 1 2.882 0.801 1.641 0.00 0.00 -0.006 A ATOM 9 C LIG 1 3.152 0.820 0.256 0.00 0.00 +0.099 A ATOM 10 C LIG 1 2.162 0.473 -0.617 0.00 0.00 +0.132 A ATOM 11 N LIG 1 2.729 0.609 -1.850 0.00 0.00 -0.336 N ATOM 12 H LIG 1 2.293 0.426 -2.745 0.00 0.00 +0.167 HD ATOM 13 C LIG 1 4.036 1.019 -1.660 0.00 0.00 +0.125 A ATOM 14 C LIG 1 0.831 0.074 -0.244 0.00 0.00 +0.282 A ATOM 15 O LIG 1 0.012 -0.187 -1.119 0.00 0.00 -0.265 OA ATOM 16 N LIG 1 0.613 0.046 1.169 0.00 0.00 -0.266 N ATOM 17 N LIG 1 4.310 1.153 -0.371 0.00 0.00 -0.230 NA ATOM 18 C LIG 1 1.653 0.430 2.054 0.00 0.00 +0.101 A BRANCH 13 19 ATOM 19 C LIG 1 4.939 1.268 -2.824 0.00 0.00 +0.120 C ATOM 20 N LIG 1 4.932 0.136 -3.775 0.00 0.00 -0.307 NA ATOM 21 H LIG 1 5.125 -0.710 -3.232 0.00 0.00 +0.123 HD ATOM 22 C LIG 1 6.100 0.386 -4.629 0.00 0.00 +0.081 C ATOM 23 C LIG 1 7.149 1.019 -3.727 0.00 0.00 +0.017 C ATOM 24 C LIG 1 6.409 1.391 -2.450 0.00 0.00 +0.028 C ENDBRANCH 13 19 ENDBRANCH 1 16 BRANCH 5 25 ATOM 25 C LIG 1 -4.042 -1.720 0.774 0.00 0.00 -0.005 A ATOM 26 C LIG 1 -4.655 -1.015 -0.287 0.00 0.00 +0.047 A ATOM 27 C LIG 1 -5.687 -1.590 -1.039 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -6.106 -2.878 -0.742 0.00 0.00 +0.124 A ATOM 29 F LIG 1 -7.090 -3.434 -1.460 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -5.522 -3.601 0.291 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -4.498 -3.025 1.046 0.00 0.00 +0.012 A BRANCH 26 32 ATOM 32 C LIG 1 -4.266 0.379 -0.599 0.00 0.00 +0.247 C ATOM 33 N LIG 1 -3.809 0.623 -1.873 0.00 0.00 -0.292 N ATOM 34 C LIG 1 -3.151 -0.272 -2.819 0.00 0.00 +0.146 C ATOM 35 C LIG 1 -2.680 0.996 -3.554 0.00 0.00 +0.200 C ATOM 36 F LIG 1 -1.393 1.008 -3.976 0.00 0.00 -0.242 F ATOM 37 C LIG 1 -2.990 1.769 -2.263 0.00 0.00 +0.146 C ATOM 38 O LIG 1 -4.385 1.247 0.259 0.00 0.00 -0.270 OA ENDBRANCH 26 32 ENDBRANCH 5 25 BRANCH 3 39 ATOM 39 C LIG 1 -2.183 -0.058 5.127 0.00 0.00 +0.038 C ATOM 40 C LIG 1 -2.397 -1.179 6.119 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -1.089 -0.446 6.095 0.00 0.00 +0.010 C ENDBRANCH 3 39 TORSDOF 5