REMARK Name = BDB047766 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.475 -0.093 0.504 0.00 0.00 +0.082 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.267 1.013 1.195 0.00 0.00 +0.232 C BRANCH 2 3 ATOM 3 O LIG 1 -2.193 1.640 0.310 0.00 0.00 -0.492 OA BRANCH 3 8 ATOM 4 N LIG 1 -7.237 -0.446 -0.459 0.00 0.00 -0.336 N ATOM 5 C LIG 1 -6.026 0.211 -0.383 0.00 0.00 +0.050 A ATOM 6 C LIG 1 -5.212 -0.536 0.471 0.00 0.00 +0.003 A ATOM 7 C LIG 1 -3.898 -0.090 0.737 0.00 0.00 +0.055 A ATOM 8 C LIG 1 -3.435 1.091 0.149 0.00 0.00 +0.121 A ATOM 9 C LIG 1 -4.274 1.816 -0.698 0.00 0.00 +0.048 A ATOM 10 C LIG 1 -5.969 -1.660 0.899 0.00 0.00 +0.028 A ATOM 11 C LIG 1 -5.579 1.397 -0.981 0.00 0.00 +0.030 A ATOM 12 C LIG 1 -7.211 -1.578 0.314 0.00 0.00 +0.087 A BRANCH 4 13 ATOM 13 C LIG 1 -8.396 0.005 -1.217 0.00 0.00 +0.242 C BRANCH 13 15 ATOM 14 O LIG 1 -10.010 1.770 -1.224 0.00 0.00 -0.249 OA ATOM 15 C LIG 1 -9.150 1.159 -0.600 0.00 0.00 +0.325 C BRANCH 15 16 ATOM 16 O LIG 1 -8.877 1.471 0.685 0.00 0.00 -0.479 OA ATOM 17 H LIG 1 -8.162 0.961 1.116 0.00 0.00 +0.295 HD ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 4 13 ENDBRANCH 3 8 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 0.222 0.402 -0.762 0.00 0.00 +0.232 C BRANCH 18 19 ATOM 19 O LIG 1 1.006 -0.645 -1.338 0.00 0.00 -0.492 OA BRANCH 19 20 ATOM 20 C LIG 1 2.302 -0.802 -0.940 0.00 0.00 +0.121 A ATOM 21 C LIG 1 2.998 -1.804 -1.623 0.00 0.00 +0.046 A ATOM 22 C LIG 1 4.333 -2.081 -1.321 0.00 0.00 +0.015 A ATOM 23 C LIG 1 4.990 -1.343 -0.335 0.00 0.00 +0.022 A ATOM 24 C LIG 1 4.294 -0.356 0.370 0.00 0.00 +0.015 A ATOM 25 C LIG 1 2.954 -0.084 0.064 0.00 0.00 +0.046 A BRANCH 23 26 ATOM 26 C LIG 1 6.406 -1.669 -0.029 0.00 0.00 +0.193 C ATOM 27 O LIG 1 6.778 -2.837 -0.084 0.00 0.00 -0.287 OA BRANCH 26 28 ATOM 28 C LIG 1 7.383 -0.614 0.342 0.00 0.00 +0.022 A ATOM 29 C LIG 1 8.406 -0.941 1.244 0.00 0.00 +0.014 A ATOM 30 C LIG 1 9.352 0.019 1.607 0.00 0.00 +0.039 A ATOM 31 C LIG 1 9.277 1.295 1.058 0.00 0.00 +0.123 A ATOM 32 F LIG 1 10.185 2.216 1.405 0.00 0.00 -0.205 F ATOM 33 C LIG 1 8.280 1.627 0.146 0.00 0.00 +0.039 A ATOM 34 C LIG 1 7.331 0.670 -0.220 0.00 0.00 +0.014 A ENDBRANCH 26 28 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 11