REMARK Name = BDB035815 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.797 0.838 1.078 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.079 0.168 0.083 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.440 -0.617 -0.776 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.330 0.548 0.243 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.420 0.161 -0.515 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.678 0.663 -0.158 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.793 1.528 0.958 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.673 1.911 1.721 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.437 1.401 1.336 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.087 1.610 1.942 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.460 0.103 0.506 0.00 0.00 -0.032 A ATOM 12 C LIG 1 3.059 0.204 0.336 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.203 0.795 1.279 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.781 1.344 2.428 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.156 1.264 2.641 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.975 0.644 1.699 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 5.917 0.635 -2.284 0.00 0.00 +0.120 C ATOM 18 C LIG 1 5.028 -0.609 -2.090 0.00 0.00 +0.051 C ATOM 19 C LIG 1 5.421 -0.612 -0.574 0.00 0.00 +0.060 C ATOM 20 C LIG 1 6.689 0.203 -1.022 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 5.787 -2.065 -0.062 0.00 0.00 +0.144 A ATOM 22 N LIG 1 4.948 -3.136 0.080 0.00 0.00 -0.320 N ATOM 23 C LIG 1 3.539 -3.208 -0.196 0.00 0.00 +0.151 C ATOM 24 C LIG 1 5.717 -4.153 0.557 0.00 0.00 +0.224 A ATOM 25 N LIG 1 6.954 -3.740 0.700 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 6.998 -2.421 0.315 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 6.023 3.060 -2.386 0.00 0.00 +0.194 C ATOM 28 O LIG 1 5.220 1.899 -2.225 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -2.799 2.825 2.910 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -4.069 3.244 3.154 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.366 2.235 4.058 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.048 3.952 2.770 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -4.913 0.269 -0.938 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -5.732 -0.652 -0.148 0.00 0.00 -0.306 NA ATOM 35 H LIG 1 -5.182 -1.493 0.037 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.041 -0.917 -0.763 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -7.964 0.314 -0.576 0.00 0.00 +0.097 C ATOM 38 C LIG 1 -9.044 -0.651 -0.037 0.00 0.00 +0.252 C ATOM 39 F LIG 1 -9.928 -1.100 -0.958 0.00 0.00 -0.206 F ATOM 40 F LIG 1 -9.771 -0.195 1.007 0.00 0.00 -0.206 F ATOM 41 C LIG 1 -7.902 -1.631 0.315 0.00 0.00 +0.097 C ATOM 42 C LIG 1 -6.988 -1.603 -2.116 0.00 0.00 +0.028 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8