REMARK Name = BDB035830 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.005 1.091 0.664 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.188 1.476 1.308 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.377 2.161 2.296 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.299 0.877 0.556 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.657 0.968 0.799 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.529 0.308 -0.078 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.000 -0.439 -1.158 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.613 -0.528 -1.388 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.775 0.152 -0.507 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.285 0.250 -0.492 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.769 1.297 0.633 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.428 0.964 0.320 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.318 1.462 1.032 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.570 2.325 2.100 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.874 2.685 2.438 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.951 2.180 1.713 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.092 0.717 -2.070 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -5.868 1.774 -0.967 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.030 0.713 -0.171 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -4.815 0.014 -1.554 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.927 -0.181 0.797 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.536 -1.256 1.548 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.226 -1.838 1.654 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -6.652 -1.685 2.199 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -7.672 -0.931 1.864 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.216 0.019 0.982 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -7.165 1.878 -3.905 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -6.018 1.184 -3.433 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.050 -1.313 -2.541 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.105 -2.209 -2.140 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.437 -0.515 -3.455 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.981 -2.031 -3.225 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 6.023 0.364 0.156 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.410 -0.618 1.165 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 6.188 -1.553 0.829 0.00 0.00 +0.122 HD BRANCH 34 36 ATOM 36 C LIG 1 7.833 -0.541 1.503 0.00 0.00 +0.121 C BRANCH 36 37 ATOM 37 C LIG 1 8.727 -1.088 0.421 0.00 0.00 +0.124 C ATOM 38 C LIG 1 9.987 -1.830 0.788 0.00 0.00 +0.045 C ATOM 39 C LIG 1 8.823 -2.576 0.198 0.00 0.00 +0.045 C ATOM 40 F LIG 1 8.831 -0.312 -0.731 0.00 0.00 -0.241 F ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 9