REMARK Name = BDB040088 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.437 1.837 -0.102 0.00 0.00 -0.032 A ATOM 2 C LIG 1 4.988 0.683 -0.712 0.00 0.00 +0.017 A ATOM 3 C LIG 1 4.248 -0.507 -0.852 0.00 0.00 +0.061 A ATOM 4 C LIG 1 2.943 -0.508 -0.369 0.00 0.00 -0.006 A ATOM 5 C LIG 1 1.923 -1.600 -0.373 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.766 -0.992 0.273 0.00 0.00 -0.263 N ATOM 7 C LIG 1 1.026 0.334 0.634 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.327 1.171 1.174 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.406 0.627 0.226 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.119 1.803 0.373 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -0.441 -1.711 0.493 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -1.534 -1.137 1.164 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.747 -1.825 1.409 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -2.824 -3.144 0.925 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -1.759 -3.740 0.255 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -0.577 -3.031 0.045 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -3.973 -1.128 2.180 0.00 0.00 +0.080 C ATOM 18 C LIG 1 -3.634 -0.317 3.456 0.00 0.00 +0.177 C ATOM 19 O LIG 1 -4.733 -0.929 4.176 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -4.795 -1.982 3.180 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 -4.863 -0.305 1.238 0.00 0.00 +0.248 C ATOM 22 F LIG 1 -4.124 0.751 0.781 0.00 0.00 -0.236 F BRANCH 21 23 ATOM 23 C LIG 1 -5.409 -1.114 0.109 0.00 0.00 +0.168 A ATOM 24 N LIG 1 -5.065 -0.981 -1.212 0.00 0.00 -0.318 N ATOM 25 C LIG 1 -4.147 -0.042 -1.800 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -5.765 -1.936 -1.883 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -6.500 -2.618 -1.038 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -6.281 -2.100 0.214 0.00 0.00 -0.132 NA ENDBRANCH 21 23 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 4.833 -1.733 -1.500 0.00 0.00 +0.418 C ATOM 30 F LIG 1 4.135 -2.110 -2.607 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.818 -2.811 -0.669 0.00 0.00 -0.166 F ATOM 32 F LIG 1 6.124 -1.582 -1.901 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 5.260 3.100 0.021 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.416 3.817 -1.242 0.00 0.00 -0.312 NA ATOM 35 H LIG 1 5.712 3.175 -1.974 0.00 0.00 +0.122 HD BRANCH 34 37 ATOM 36 C LIG 1 4.478 5.301 -2.930 0.00 0.00 +0.020 C ATOM 37 C LIG 1 4.203 4.520 -1.654 0.00 0.00 +0.078 C ENDBRANCH 34 37 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 8