REMARK Name = BDB035397 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.821 0.094 -1.412 0.00 0.00 -0.029 A ATOM 2 C LIG 1 -3.364 -1.231 -1.201 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -2.037 -1.515 -0.817 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.177 -0.436 -0.638 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.260 -0.414 -0.231 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.590 1.004 -0.206 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.513 1.786 -0.571 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.644 2.990 -0.684 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.623 0.862 -0.839 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.919 1.156 -1.222 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.878 1.481 0.167 0.00 0.00 +0.037 A ATOM 12 C LIG 1 2.921 0.580 0.461 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.222 0.990 0.842 0.00 0.00 -0.032 A ATOM 14 C LIG 1 4.433 2.379 0.924 0.00 0.00 +0.005 A ATOM 15 C LIG 1 3.422 3.293 0.636 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.157 2.845 0.260 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.417 -0.039 1.157 0.00 0.00 +0.066 C ATOM 18 C LIG 1 5.085 -1.540 1.421 0.00 0.00 +0.095 C ATOM 19 C LIG 1 6.098 -1.535 2.583 0.00 0.00 +0.251 C ATOM 20 F LIG 1 5.688 -2.186 3.695 0.00 0.00 -0.206 F ATOM 21 F LIG 1 7.321 -2.021 2.282 0.00 0.00 -0.206 F ATOM 22 C LIG 1 5.960 -0.004 2.627 0.00 0.00 +0.095 C BRANCH 17 23 ATOM 23 C LIG 1 6.566 0.138 0.073 0.00 0.00 +0.144 A ATOM 24 N LIG 1 6.472 -0.001 -1.285 0.00 0.00 -0.320 N ATOM 25 C LIG 1 5.318 -0.347 -2.066 0.00 0.00 +0.151 C ATOM 26 C LIG 1 7.709 0.280 -1.778 0.00 0.00 +0.224 A ATOM 27 N LIG 1 8.518 0.576 -0.788 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 7.797 0.493 0.378 0.00 0.00 -0.134 NA ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 -1.563 -2.925 -0.588 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -0.455 -3.219 -1.325 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -1.211 -3.144 0.708 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.485 -3.875 -0.898 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 34 ATOM 33 C LIG 1 -5.992 -0.680 -2.590 0.00 0.00 +0.029 C ATOM 34 C LIG 1 -5.259 0.417 -1.810 0.00 0.00 +0.081 C BRANCH 34 35 ATOM 35 N LIG 1 -6.048 0.944 -0.681 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 -5.556 1.754 -0.304 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 -6.357 -0.062 0.335 0.00 0.00 +0.054 C ATOM 38 C LIG 1 -7.800 -0.586 0.136 0.00 0.00 +0.019 C ATOM 39 C LIG 1 -7.986 -0.417 1.659 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -6.894 0.671 1.592 0.00 0.00 +0.019 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 7