REMARK Name = BDB061238 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.034 -2.873 1.363 0.00 0.00 +0.067 A ATOM 2 C LIG 1 2.109 -1.978 1.571 0.00 0.00 +0.154 A ATOM 3 C LIG 1 2.953 -2.093 2.684 0.00 0.00 +0.106 A ATOM 4 C LIG 1 4.050 -1.107 2.831 0.00 0.00 +0.197 A ATOM 5 C LIG 1 4.145 -0.064 1.796 0.00 0.00 +0.098 A ATOM 6 C LIG 1 3.286 -0.067 0.771 0.00 0.00 +0.139 A ATOM 7 O LIG 1 4.865 -1.102 3.744 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 2.729 -3.122 3.606 0.00 0.00 +0.135 A ATOM 9 C LIG 1 1.675 -4.017 3.422 0.00 0.00 +0.092 A ATOM 10 O LIG 1 2.278 -0.996 0.618 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 0.838 -3.886 2.316 0.00 0.00 +0.132 A ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -1.558 -1.512 -1.056 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -0.744 -1.673 0.076 0.00 0.00 +0.020 A ATOM 14 C LIG 1 0.164 -2.741 0.181 0.00 0.00 -0.010 A ATOM 15 C LIG 1 0.231 -3.669 -0.868 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -0.588 -3.535 -1.988 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -1.478 -2.464 -2.082 0.00 0.00 +0.011 A BRANCH 12 26 ATOM 18 O LIG 1 -3.572 2.192 -3.306 0.00 0.00 -0.287 OA ATOM 19 C LIG 1 -3.495 1.530 -2.281 0.00 0.00 +0.197 A ATOM 20 C LIG 1 -4.255 1.804 -1.039 0.00 0.00 +0.105 A ATOM 21 C LIG 1 -4.040 0.959 0.053 0.00 0.00 +0.146 A ATOM 22 C LIG 1 -4.720 1.164 1.255 0.00 0.00 +0.092 A ATOM 23 C LIG 1 -5.617 2.218 1.364 0.00 0.00 +0.124 A ATOM 24 C LIG 1 -5.849 3.073 0.291 0.00 0.00 +0.091 A ATOM 25 O LIG 1 -3.169 -0.103 0.030 0.00 0.00 -0.454 OA ATOM 26 C LIG 1 -2.478 -0.363 -1.139 0.00 0.00 +0.139 A ATOM 27 C LIG 1 -5.165 2.863 -0.911 0.00 0.00 +0.135 A ATOM 28 C LIG 1 -2.584 0.372 -2.252 0.00 0.00 +0.098 A BRANCH 23 29 ATOM 29 O LIG 1 -6.258 2.379 2.557 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 -6.851 3.147 2.505 0.00 0.00 +0.292 HD ENDBRANCH 23 29 BRANCH 27 31 ATOM 31 O LIG 1 -5.402 3.709 -1.957 0.00 0.00 -0.506 OA ATOM 32 H LIG 1 -6.046 4.392 -1.714 0.00 0.00 +0.292 HD ENDBRANCH 27 31 ENDBRANCH 12 26 ENDBRANCH 1 14 BRANCH 6 33 ATOM 33 C LIG 1 3.326 0.956 -0.296 0.00 0.00 +0.017 A ATOM 34 C LIG 1 4.538 1.431 -0.817 0.00 0.00 +0.012 A ATOM 35 C LIG 1 4.553 2.388 -1.838 0.00 0.00 +0.013 A ATOM 36 C LIG 1 3.355 2.893 -2.363 0.00 0.00 +0.055 A ATOM 37 C LIG 1 2.142 2.406 -1.859 0.00 0.00 +0.013 A ATOM 38 C LIG 1 2.129 1.449 -0.838 0.00 0.00 +0.012 A BRANCH 36 39 ATOM 39 C LIG 1 3.372 3.908 -3.481 0.00 0.00 +0.417 C ATOM 40 F LIG 1 2.308 4.758 -3.446 0.00 0.00 -0.166 F ATOM 41 F LIG 1 3.348 3.323 -4.710 0.00 0.00 -0.166 F ATOM 42 F LIG 1 4.480 4.701 -3.465 0.00 0.00 -0.166 F ENDBRANCH 36 39 ENDBRANCH 6 33 BRANCH 8 43 ATOM 43 O LIG 1 3.528 -3.272 4.703 0.00 0.00 -0.506 OA ATOM 44 H LIG 1 3.240 -4.032 5.233 0.00 0.00 +0.292 HD ENDBRANCH 8 43 BRANCH 11 45 ATOM 45 O LIG 1 -0.183 -4.795 2.235 0.00 0.00 -0.506 OA ATOM 46 H LIG 1 -0.772 -4.553 1.499 0.00 0.00 +0.292 HD ENDBRANCH 11 45 TORSDOF 8