REMARK Name = BDB035425 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.954 1.017 0.630 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.502 0.074 1.583 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.144 -0.290 1.679 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.256 0.317 0.795 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.220 0.136 0.651 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.572 1.042 -0.437 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.555 1.711 -0.925 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.675 2.533 -1.815 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.704 1.244 -0.138 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.033 1.611 -0.246 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.909 1.184 -0.901 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.953 0.440 -0.322 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.306 0.523 -0.742 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.572 1.415 -1.794 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.559 2.170 -2.383 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.241 2.053 -1.940 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.433 -0.385 -0.029 0.00 0.00 +0.057 C ATOM 18 C LIG 1 -5.715 -0.028 1.493 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -6.944 0.689 1.017 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -6.962 2.187 0.973 0.00 0.00 +0.169 C ATOM 21 O LIG 1 -8.252 2.196 1.654 0.00 0.00 -0.379 OA ATOM 22 C LIG 1 -8.170 0.755 1.867 0.00 0.00 +0.169 C ATOM 23 C LIG 1 -6.964 -0.084 -0.274 0.00 0.00 +0.030 C BRANCH 17 24 ATOM 24 C LIG 1 -5.094 -1.915 -0.244 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -5.059 -2.600 -1.428 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -5.326 -2.098 -2.747 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -4.689 -3.871 -1.114 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -4.500 -3.966 0.181 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -4.748 -2.731 0.730 0.00 0.00 -0.134 NA ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 1.667 -1.303 2.685 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.640 -1.732 3.533 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.669 -0.816 3.472 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.164 -2.418 2.090 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 5.424 1.385 0.549 0.00 0.00 +0.119 C BRANCH 34 38 ATOM 35 C LIG 1 7.308 -2.618 -0.393 0.00 0.00 +0.009 C ATOM 36 C LIG 1 7.214 -1.128 -0.063 0.00 0.00 +0.000 C ATOM 37 C LIG 1 6.145 -0.446 -0.936 0.00 0.00 +0.088 C ATOM 38 N LIG 1 6.038 1.008 -0.732 0.00 0.00 -0.298 NA ATOM 39 C LIG 1 7.345 1.653 -0.922 0.00 0.00 +0.085 C ATOM 40 C LIG 1 8.460 1.062 -0.055 0.00 0.00 +0.016 C ATOM 41 C LIG 1 8.574 -0.446 -0.251 0.00 0.00 +0.006 C ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 6