REMARK Name = BDB035635 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.510 -0.061 -0.191 0.00 0.00 -0.029 A ATOM 2 C LIG 1 3.601 -0.871 -1.353 0.00 0.00 +0.018 A ATOM 3 C LIG 1 2.472 -1.184 -2.134 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.246 -0.674 -1.716 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.110 -0.819 -2.327 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.977 -0.080 -1.418 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.244 0.490 -0.371 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.587 1.181 0.569 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.158 0.107 -0.572 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.257 0.430 0.203 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.379 0.034 -1.629 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.214 0.698 -0.717 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.607 0.829 -0.919 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -5.160 0.270 -2.076 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.351 -0.401 -2.991 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.977 -0.520 -2.767 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.418 1.563 0.148 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 -5.588 0.796 1.433 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -5.962 -0.518 1.588 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.239 -1.512 0.588 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -6.023 -0.736 2.932 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -5.701 0.360 3.575 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -5.432 1.321 2.635 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -6.778 2.050 -0.340 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -6.795 3.156 -1.408 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -7.794 3.895 -0.657 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -7.458 3.126 0.529 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 2.575 -2.044 -3.364 0.00 0.00 +0.418 C ATOM 29 F LIG 1 3.850 -2.359 -3.715 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.917 -3.226 -3.220 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.020 -1.447 -4.455 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 33 ATOM 32 C LIG 1 5.688 1.157 -0.209 0.00 0.00 +0.029 C ATOM 33 C LIG 1 4.754 0.278 0.632 0.00 0.00 +0.081 C BRANCH 33 34 ATOM 34 N LIG 1 5.364 -0.975 1.107 0.00 0.00 -0.304 NA ATOM 35 H LIG 1 4.621 -1.532 1.532 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 6.516 -0.809 2.009 0.00 0.00 +0.017 C ATOM 37 C LIG 1 7.829 -0.732 1.177 0.00 0.00 +0.022 C ATOM 38 C LIG 1 8.415 -1.816 2.104 0.00 0.00 +0.004 C ATOM 39 C LIG 1 6.967 -2.253 2.406 0.00 0.00 +0.022 C ATOM 40 C LIG 1 6.314 0.127 3.187 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 8