REMARK Name = BDB015184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.475 -1.599 -1.345 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -0.738 -0.434 -1.070 0.00 0.00 +0.054 A ATOM 3 C LIG 1 0.635 -0.475 -0.800 0.00 0.00 +0.121 A ATOM 4 C LIG 1 1.293 -1.704 -0.810 0.00 0.00 +0.045 A ATOM 5 C LIG 1 0.582 -2.874 -1.081 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.788 -2.822 -1.345 0.00 0.00 +0.009 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 -6.258 -0.313 -0.392 0.00 0.00 -0.326 N ATOM 8 C LIG 1 -5.160 -0.849 -1.025 0.00 0.00 +0.069 A ATOM 9 C LIG 1 -5.686 -1.441 -2.171 0.00 0.00 +0.089 A ATOM 10 C LIG 1 -4.828 -2.094 -3.064 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -3.455 -2.134 -2.778 0.00 0.00 +0.011 A ATOM 12 C LIG 1 -2.921 -1.538 -1.621 0.00 0.00 -0.016 A ATOM 13 N LIG 1 -7.046 -1.272 -2.237 0.00 0.00 -0.236 NA ATOM 14 C LIG 1 -3.790 -0.880 -0.726 0.00 0.00 +0.036 A ATOM 15 C LIG 1 -7.359 -0.586 -1.162 0.00 0.00 +0.200 A BRANCH 7 19 ATOM 16 C LIG 1 -9.112 0.899 3.145 0.00 0.00 +0.105 C ATOM 17 N LIG 1 -8.309 0.955 1.932 0.00 0.00 -0.303 NA ATOM 18 C LIG 1 -7.284 -0.095 1.885 0.00 0.00 +0.109 C ATOM 19 C LIG 1 -6.263 0.422 0.858 0.00 0.00 +0.104 C ATOM 20 C LIG 1 -6.599 1.908 0.676 0.00 0.00 +0.042 C ATOM 21 C LIG 1 -7.578 2.215 1.799 0.00 0.00 +0.086 C ENDBRANCH 7 19 ENDBRANCH 1 12 BRANCH 3 22 ATOM 22 O LIG 1 1.196 0.746 -0.552 0.00 0.00 -0.489 OA BRANCH 22 23 ATOM 23 C LIG 1 2.594 0.819 -0.246 0.00 0.00 +0.261 C BRANCH 23 24 ATOM 24 C LIG 1 3.446 0.886 -1.521 0.00 0.00 +0.166 C BRANCH 24 25 ATOM 25 O LIG 1 3.320 2.188 -2.122 0.00 0.00 -0.387 OA ATOM 26 H LIG 1 3.975 2.744 -1.653 0.00 0.00 +0.210 HD ENDBRANCH 24 25 BRANCH 24 27 ATOM 27 C LIG 1 4.948 0.617 -1.275 0.00 0.00 +0.119 C BRANCH 27 28 ATOM 28 N LIG 1 5.604 1.741 -0.565 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 5.744 1.494 0.887 0.00 0.00 +0.120 C ATOM 30 C LIG 1 6.829 0.511 1.271 0.00 0.00 -0.030 A ATOM 31 C LIG 1 7.911 0.255 0.409 0.00 0.00 -0.042 A ATOM 32 C LIG 1 8.918 -0.636 0.802 0.00 0.00 +0.004 A ATOM 33 C LIG 1 8.866 -1.252 2.052 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.806 -0.986 2.916 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.958 0.888 -0.958 0.00 0.00 +0.051 C ATOM 36 C LIG 1 6.795 -0.106 2.531 0.00 0.00 +0.005 A ATOM 37 C LIG 1 6.944 2.033 -1.115 0.00 0.00 +0.089 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 8