REMARK Name = BDB020740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.764 0.956 -0.357 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.083 -0.213 -0.069 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -0.648 -1.533 -0.043 0.00 0.00 +0.046 C ATOM 4 C LIG 1 1.416 -0.013 0.150 0.00 0.00 +0.044 A ATOM 5 N LIG 1 1.905 1.328 0.115 0.00 0.00 -0.318 N ATOM 6 C LIG 1 1.094 2.439 -0.133 0.00 0.00 +0.055 A ATOM 7 C LIG 1 1.866 3.586 -0.071 0.00 0.00 +0.009 A ATOM 8 C LIG 1 3.191 3.185 0.202 0.00 0.00 +0.028 A ATOM 9 C LIG 1 3.188 1.813 0.308 0.00 0.00 +0.092 A ATOM 10 C LIG 1 -0.285 2.211 -0.385 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 1.350 4.923 -0.281 0.00 0.00 +0.005 A ATOM 12 C LIG 1 0.888 5.726 0.766 0.00 0.00 +0.046 A ATOM 13 C LIG 1 0.898 5.252 2.192 0.00 0.00 +0.066 C ATOM 14 N LIG 1 0.402 6.981 0.564 0.00 0.00 -0.256 NA ATOM 15 C LIG 1 0.374 7.462 -0.702 0.00 0.00 +0.039 A ATOM 16 C LIG 1 -0.170 8.845 -0.899 0.00 0.00 +0.065 C ATOM 17 C LIG 1 0.813 6.723 -1.794 0.00 0.00 +0.023 A ATOM 18 C LIG 1 1.308 5.440 -1.578 0.00 0.00 +0.012 A ENDBRANCH 7 11 BRANCH 1 21 ATOM 19 N LIG 1 -2.986 1.050 0.498 0.00 0.00 -0.307 N ATOM 20 H LIG 1 -2.526 1.177 1.395 0.00 0.00 +0.149 HD ATOM 21 C LIG 1 -2.225 0.833 -0.621 0.00 0.00 +0.245 C ATOM 22 O LIG 1 -2.656 0.530 -1.726 0.00 0.00 -0.270 OA BRANCH 19 23 ATOM 23 C LIG 1 -4.415 0.832 0.532 0.00 0.00 +0.149 C BRANCH 23 25 ATOM 24 C LIG 1 -5.402 -1.490 0.466 0.00 0.00 +0.132 A ATOM 25 C LIG 1 -4.710 -0.522 1.095 0.00 0.00 +0.075 A ATOM 26 C LIG 1 -4.234 -0.801 2.483 0.00 0.00 +0.257 A ATOM 27 O LIG 1 -3.566 0.013 3.117 0.00 0.00 -0.267 OA ATOM 28 N LIG 1 -4.568 -2.022 3.017 0.00 0.00 -0.326 N ATOM 29 H LIG 1 -4.244 -2.184 3.963 0.00 0.00 +0.169 HD ATOM 30 C LIG 1 -5.306 -2.982 2.367 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -5.602 -4.243 3.116 0.00 0.00 +0.063 C ATOM 32 C LIG 1 -5.729 -2.740 1.117 0.00 0.00 +0.067 A BRANCH 24 34 ATOM 33 C LIG 1 -5.181 -1.948 -1.798 0.00 0.00 +0.277 C ATOM 34 O LIG 1 -5.959 -1.310 -0.782 0.00 0.00 -0.495 OA ENDBRANCH 24 34 ENDBRANCH 23 25 ENDBRANCH 19 23 ENDBRANCH 1 21 BRANCH 4 35 ATOM 35 C LIG 1 2.398 -1.161 0.445 0.00 0.00 +0.101 C ATOM 36 C LIG 1 2.762 -1.120 1.944 0.00 0.00 +0.031 C BRANCH 35 37 ATOM 37 N LIG 1 3.573 -1.193 -0.462 0.00 0.00 -0.292 NA ATOM 38 C LIG 1 3.194 -1.371 -1.885 0.00 0.00 +0.100 C ATOM 39 C LIG 1 2.716 -2.796 -2.252 0.00 0.00 +0.100 C ATOM 40 N LIG 1 3.678 -3.847 -1.863 0.00 0.00 -0.292 NA ATOM 41 C LIG 1 4.096 -3.686 -0.458 0.00 0.00 +0.100 C ATOM 42 C LIG 1 4.562 -2.244 -0.140 0.00 0.00 +0.100 C BRANCH 40 43 ATOM 43 C LIG 1 3.116 -5.197 -2.137 0.00 0.00 +0.198 C BRANCH 43 44 ATOM 44 C LIG 1 3.973 -6.439 -1.817 0.00 0.00 +0.402 C ATOM 45 F LIG 1 3.359 -7.558 -2.271 0.00 0.00 -0.169 F ATOM 46 F LIG 1 5.193 -6.383 -2.392 0.00 0.00 -0.169 F ATOM 47 F LIG 1 4.144 -6.594 -0.483 0.00 0.00 -0.169 F ENDBRANCH 43 44 ENDBRANCH 40 43 ENDBRANCH 35 37 ENDBRANCH 4 35 TORSDOF 9