REMARK Name = BDB037338 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.109 -2.179 0.364 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.906 -1.047 0.150 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.421 0.232 -0.036 0.00 0.00 +0.026 A ATOM 4 C LIG 1 -2.544 1.081 0.094 0.00 0.00 +0.073 A ATOM 5 N LIG 1 -3.661 0.366 0.284 0.00 0.00 -0.169 NA ATOM 6 C LIG 1 0.024 0.530 -0.188 0.00 0.00 +0.083 C ATOM 7 C LIG 1 0.846 -0.568 0.510 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -3.290 -0.920 0.026 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.287 -2.003 0.322 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.069 -2.961 0.260 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.271 0.702 -1.683 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.074 -0.327 -2.624 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.339 -0.115 -3.979 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.809 1.119 -4.405 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.066 1.317 -5.704 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.021 2.150 -3.501 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.756 1.942 -2.146 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -4.261 -1.821 -0.490 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -3.899 -2.840 -1.381 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -4.877 -3.688 -1.908 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -6.217 -3.510 -1.565 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.586 -2.475 -0.707 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -5.614 -1.624 -0.178 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.272 -0.557 0.173 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.682 -1.462 -0.039 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.080 0.498 0.522 0.00 0.00 +0.245 C ATOM 27 O LIG 1 2.655 1.504 1.079 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.529 0.359 0.214 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.447 1.089 0.982 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.826 0.998 0.730 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.269 0.181 -0.321 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.357 -0.536 -1.098 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.989 -0.446 -0.835 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.804 1.799 1.554 0.00 0.00 +0.417 C ATOM 35 F LIG 1 7.913 3.085 1.123 0.00 0.00 -0.166 F ATOM 36 F LIG 1 9.067 1.288 1.534 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.455 1.870 2.869 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -1.312 -3.732 2.283 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -1.587 -3.492 0.802 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.597 2.576 0.081 0.00 0.00 +0.085 C BRANCH 40 41 ATOM 41 C LIG 1 -2.196 3.171 1.404 0.00 0.00 -0.016 C ATOM 42 C LIG 1 -3.051 3.825 2.207 0.00 0.00 +0.063 C BRANCH 42 43 ATOM 43 C LIG 1 -2.688 4.468 3.491 0.00 0.00 +0.234 C ATOM 44 O LIG 1 -3.366 5.371 3.961 0.00 0.00 -0.271 OA ATOM 45 N LIG 1 -1.603 3.973 4.138 0.00 0.00 -0.326 N ATOM 46 H LIG 1 -1.405 4.351 5.054 0.00 0.00 +0.145 HD ATOM 47 H LIG 1 -1.144 3.117 3.865 0.00 0.00 +0.145 HD ENDBRANCH 42 43 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 9