REMARK Name = BDB063803 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.148 -0.136 0.064 0.00 0.00 -0.029 A ATOM 2 C LIG 1 3.358 -1.023 -1.024 0.00 0.00 +0.018 A ATOM 3 C LIG 1 2.297 -1.486 -1.825 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.018 -1.038 -1.508 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.291 -1.347 -2.158 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.252 -0.577 -1.379 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.621 0.120 -0.344 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -1.069 0.839 0.529 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.814 -0.172 -0.442 0.00 0.00 +0.043 A ATOM 10 C LIG 1 1.845 0.292 0.355 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.641 -0.564 -1.687 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.546 0.256 -0.996 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.923 0.273 -1.301 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -5.391 -0.563 -2.324 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.511 -1.381 -3.024 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.150 -1.378 -2.710 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.909 1.172 -0.561 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 -5.712 1.203 0.933 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -5.731 0.111 1.766 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.926 -1.271 1.418 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -5.529 0.587 3.024 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -5.416 1.892 2.986 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -5.530 2.280 1.675 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -5.953 2.593 -1.134 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -5.957 2.850 -2.650 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -5.058 3.978 -2.485 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -4.722 3.517 -1.145 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 2.524 -2.431 -2.973 0.00 0.00 +0.418 C ATOM 29 F LIG 1 3.829 -2.752 -3.180 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.867 -3.612 -2.801 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.067 -1.927 -4.153 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 33 ATOM 32 C LIG 1 5.202 1.278 0.068 0.00 0.00 +0.029 C ATOM 33 C LIG 1 4.321 0.354 0.916 0.00 0.00 +0.081 C BRANCH 33 34 ATOM 34 N LIG 1 5.024 -0.816 1.471 0.00 0.00 -0.304 NA ATOM 35 H LIG 1 4.318 -1.420 1.896 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 6.120 -0.506 2.403 0.00 0.00 +0.017 C ATOM 37 C LIG 1 7.451 -0.335 1.617 0.00 0.00 +0.022 C ATOM 38 C LIG 1 8.099 -1.323 2.607 0.00 0.00 +0.004 C ATOM 39 C LIG 1 6.688 -1.885 2.872 0.00 0.00 +0.022 C ATOM 40 C LIG 1 5.786 0.450 3.534 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 8