REMARK Name = BDB020565 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.895 1.317 1.036 0.00 0.00 +0.011 A ATOM 2 C LIG 1 1.848 0.562 0.295 0.00 0.00 +0.010 A ATOM 3 C LIG 1 3.217 0.853 0.441 0.00 0.00 +0.072 A ATOM 4 N LIG 1 4.177 0.194 -0.227 0.00 0.00 -0.246 NA ATOM 5 C LIG 1 3.830 -0.794 -1.092 0.00 0.00 +0.083 A ATOM 6 C LIG 1 2.514 -1.182 -1.304 0.00 0.00 +0.044 A ATOM 7 C LIG 1 3.604 1.867 1.306 0.00 0.00 +0.028 A ATOM 8 C LIG 1 2.676 2.606 2.039 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.524 -0.481 -0.602 0.00 0.00 +0.022 A ATOM 10 C LIG 1 1.322 2.331 1.905 0.00 0.00 +0.011 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -4.668 2.424 1.316 0.00 0.00 +0.041 C ATOM 12 C LIG 1 -3.926 1.823 0.126 0.00 0.00 +0.171 C ATOM 13 N LIG 1 -2.658 1.242 0.534 0.00 0.00 -0.318 N ATOM 14 C LIG 1 -1.480 1.936 0.461 0.00 0.00 +0.064 A ATOM 15 C LIG 1 -0.527 1.058 0.924 0.00 0.00 +0.094 A ATOM 16 N LIG 1 -1.101 -0.142 1.255 0.00 0.00 -0.232 NA ATOM 17 C LIG 1 -1.452 3.317 -0.051 0.00 0.00 +0.163 C ATOM 18 N LIG 1 -2.471 3.466 -1.080 0.00 0.00 -0.297 N ATOM 19 C LIG 1 -2.299 4.567 -2.011 0.00 0.00 +0.132 C ATOM 20 C LIG 1 -2.393 -0.019 1.008 0.00 0.00 +0.115 A ATOM 21 C LIG 1 -3.734 2.893 -0.951 0.00 0.00 +0.238 C ATOM 22 O LIG 1 -4.691 3.238 -1.648 0.00 0.00 -0.273 OA BRANCH 20 23 ATOM 23 C LIG 1 -3.420 -1.099 1.190 0.00 0.00 +0.060 C ATOM 24 C LIG 1 -3.425 -2.048 -0.014 0.00 0.00 +0.039 C ATOM 25 C LIG 1 -4.398 -3.195 0.222 0.00 0.00 +0.160 C ATOM 26 O LIG 1 -4.090 -3.888 1.430 0.00 0.00 -0.380 OA ATOM 27 C LIG 1 -4.165 -3.047 2.579 0.00 0.00 +0.160 C ATOM 28 C LIG 1 -3.174 -1.896 2.477 0.00 0.00 +0.039 C ENDBRANCH 20 23 ENDBRANCH 1 15 BRANCH 5 29 ATOM 29 C LIG 1 4.961 -1.421 -1.749 0.00 0.00 +0.038 A ATOM 30 C LIG 1 6.097 -1.845 -1.090 0.00 0.00 +0.118 A ATOM 31 N LIG 1 6.926 -2.354 -2.044 0.00 0.00 -0.274 N ATOM 32 C LIG 1 8.241 -2.913 -1.845 0.00 0.00 +0.172 C ATOM 33 N LIG 1 6.408 -2.303 -3.285 0.00 0.00 -0.179 NA ATOM 34 C LIG 1 5.227 -1.703 -3.107 0.00 0.00 +0.144 A ENDBRANCH 5 29 BRANCH 6 35 ATOM 35 C LIG 1 2.136 -2.302 -2.224 0.00 0.00 +0.374 C ATOM 36 F LIG 1 0.838 -2.701 -2.084 0.00 0.00 -0.204 F ATOM 37 F LIG 1 2.260 -1.957 -3.537 0.00 0.00 -0.204 F ENDBRANCH 6 35 TORSDOF 4