REMARK Name = BDB037434 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.078 -2.528 1.495 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.035 -1.667 1.495 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.989 -0.334 1.133 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -2.229 0.212 1.527 0.00 0.00 +0.069 A ATOM 5 N LIG 1 -3.003 -0.717 2.094 0.00 0.00 -0.169 NA ATOM 6 C LIG 1 0.222 0.312 0.571 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.470 -0.431 1.070 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.371 -1.897 1.836 0.00 0.00 -0.218 N ATOM 9 C LIG 1 1.325 -1.973 1.141 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.338 -2.671 0.994 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.015 0.367 -0.939 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -0.016 1.630 -1.565 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -0.186 1.744 -2.945 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -0.325 0.597 -3.712 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -0.491 0.706 -5.037 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -0.290 -0.661 -3.127 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.115 -0.778 -1.746 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.156 -3.078 1.801 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.901 -4.078 0.860 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.702 -5.221 0.819 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.774 -5.355 1.701 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.060 -4.339 2.612 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.263 -3.194 2.654 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.702 -0.115 0.337 0.00 0.00 -0.299 N ATOM 25 H LIG 1 3.311 -0.907 0.156 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.230 1.154 0.328 0.00 0.00 +0.245 C ATOM 27 O LIG 1 2.674 2.112 0.854 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.551 1.322 -0.338 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.361 2.398 0.051 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.613 2.609 -0.551 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.043 1.719 -1.547 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.232 0.656 -1.948 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.987 0.459 -1.350 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.486 3.755 -0.103 0.00 0.00 +0.417 C ATOM 35 F LIG 1 6.786 4.903 0.113 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.456 4.077 -1.005 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.135 3.485 1.062 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 0.423 -4.975 1.037 0.00 0.00 +0.025 C ATOM 39 C LIG 1 0.107 -3.883 2.053 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.711 1.621 1.407 0.00 0.00 +0.061 C BRANCH 40 41 ATOM 41 C LIG 1 -3.631 1.798 0.194 0.00 0.00 +0.033 C BRANCH 41 42 ATOM 42 C LIG 1 -3.959 3.244 -0.051 0.00 0.00 -0.021 C ATOM 43 C LIG 1 -3.670 3.888 -1.192 0.00 0.00 +0.063 C BRANCH 43 44 ATOM 44 C LIG 1 -4.027 5.316 -1.353 0.00 0.00 +0.234 C ATOM 45 O LIG 1 -4.536 5.999 -0.477 0.00 0.00 -0.271 OA ATOM 46 N LIG 1 -3.738 5.818 -2.583 0.00 0.00 -0.326 N ATOM 47 H LIG 1 -3.366 5.270 -3.343 0.00 0.00 +0.145 HD ATOM 48 H LIG 1 -3.987 6.783 -2.756 0.00 0.00 +0.145 HD ENDBRANCH 43 44 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 10