REMARK Name = BDB035782 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.596 -0.764 0.223 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -3.058 -1.679 -0.715 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.676 -1.745 -0.979 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.852 -0.867 -0.281 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.631 -0.696 -0.343 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.893 0.379 0.607 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.291 0.829 1.202 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.496 1.696 2.031 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.386 0.034 0.632 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.740 0.112 0.903 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.206 0.863 0.863 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.314 0.326 0.185 0.00 0.00 +0.029 A ATOM 13 C LIG 1 4.633 0.781 0.414 0.00 0.00 -0.021 A ATOM 14 C LIG 1 4.832 1.787 1.366 0.00 0.00 +0.006 A ATOM 15 C LIG 1 3.746 2.334 2.044 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.449 1.878 1.792 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.774 0.120 -0.357 0.00 0.00 +0.146 C BRANCH 17 18 ATOM 18 N LIG 1 6.195 -1.115 0.303 0.00 0.00 -0.244 N ATOM 19 N LIG 1 6.237 -2.263 -0.400 0.00 0.00 -0.065 NA ATOM 20 N LIG 1 6.686 -3.212 0.410 0.00 0.00 -0.138 NA ATOM 21 C LIG 1 6.937 -2.646 1.627 0.00 0.00 +0.156 A ATOM 22 C LIG 1 6.641 -1.305 1.579 0.00 0.00 +0.130 A ENDBRANCH 17 18 BRANCH 17 23 ATOM 23 C LIG 1 6.953 1.051 -0.600 0.00 0.00 +0.069 C ATOM 24 C LIG 1 6.709 2.233 -1.548 0.00 0.00 +0.168 C ATOM 25 O LIG 1 7.869 1.881 -2.337 0.00 0.00 -0.379 OA ATOM 26 C LIG 1 7.943 0.591 -1.682 0.00 0.00 +0.168 C ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 27 ATOM 27 C LIG 1 -1.106 -2.715 -1.978 0.00 0.00 +0.418 C ATOM 28 F LIG 1 -2.035 -3.512 -2.570 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -0.194 -3.553 -1.413 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.449 -2.082 -2.989 0.00 0.00 -0.166 F ENDBRANCH 3 27 BRANCH 1 31 ATOM 31 C LIG 1 -5.091 -0.716 0.460 0.00 0.00 +0.116 C BRANCH 31 32 ATOM 32 N LIG 1 -5.765 -0.111 -0.689 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 -5.299 0.771 -0.903 0.00 0.00 +0.123 HD BRANCH 32 35 ATOM 34 C LIG 1 -7.958 -1.296 -0.303 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -7.217 0.017 -0.480 0.00 0.00 +0.017 C ATOM 36 C LIG 1 -7.517 1.192 0.495 0.00 0.00 +0.022 C ATOM 37 C LIG 1 -8.555 1.696 -0.529 0.00 0.00 +0.004 C ATOM 38 C LIG 1 -7.765 0.935 -1.616 0.00 0.00 +0.022 C ENDBRANCH 32 35 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 8