REMARK Name = BDB037365 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.972 -2.041 -0.136 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.845 -0.945 -0.181 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.446 0.372 -0.069 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.567 1.141 -0.469 0.00 0.00 +0.090 A ATOM 5 N LIG 1 -3.592 0.343 -0.802 0.00 0.00 -0.167 NA ATOM 6 C LIG 1 -0.072 0.762 0.348 0.00 0.00 +0.083 C ATOM 7 C LIG 1 0.619 -0.445 1.021 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -3.220 -0.901 -0.390 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.351 -1.777 0.271 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.269 -2.592 0.117 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.635 1.321 -0.883 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.265 2.578 -0.777 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.950 3.132 -1.859 0.00 0.00 +0.038 A ATOM 14 C LIG 1 2.017 2.434 -3.056 0.00 0.00 +0.123 A ATOM 15 F LIG 1 2.674 2.965 -4.095 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.416 1.190 -3.188 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.732 0.632 -2.106 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -4.227 -1.861 -0.097 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.008 -2.873 0.849 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.024 -3.784 1.145 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -6.264 -3.682 0.515 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.498 -2.659 -0.402 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -5.487 -1.743 -0.701 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.067 -0.293 1.191 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.627 -1.088 0.895 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 2.606 0.673 2.003 0.00 0.00 +0.245 C ATOM 27 O LIG 1 1.925 1.500 2.599 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.087 0.670 2.146 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.928 0.201 1.127 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.324 0.219 1.291 0.00 0.00 +0.056 A ATOM 31 C LIG 1 6.863 0.734 2.481 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.027 1.215 3.490 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.643 1.187 3.321 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.231 -0.262 0.185 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.409 -0.769 0.642 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.562 0.734 -0.682 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.670 -1.247 -0.571 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -0.787 -3.204 -2.323 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -1.204 -3.297 -0.860 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.665 2.645 -0.573 0.00 0.00 +0.128 C ATOM 41 C LIG 1 -3.957 3.166 -1.199 0.00 0.00 +0.035 C BRANCH 40 42 ATOM 42 N LIG 1 -2.485 3.260 0.778 0.00 0.00 -0.274 N ATOM 43 H LIG 1 -2.112 4.211 0.719 0.00 0.00 +0.158 HD BRANCH 42 44 ATOM 44 C LIG 1 -3.215 2.932 1.852 0.00 0.00 +0.167 C ATOM 45 N LIG 1 -3.838 2.672 2.791 0.00 0.00 -0.174 NA ENDBRANCH 42 44 ENDBRANCH 40 42 ENDBRANCH 4 40 TORSDOF 9