REMARK Name = BDB035773 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.834 -1.380 -0.273 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.047 -0.234 -0.423 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.347 0.942 -0.511 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.353 -0.674 -0.452 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.495 0.094 -0.586 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.732 -0.564 -0.581 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.770 -1.974 -0.442 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.597 -2.741 -0.305 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.386 -2.056 -0.313 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.009 -2.578 -0.178 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.470 -0.303 -0.354 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.050 -0.291 -0.408 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.254 -1.433 -0.218 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.910 -2.646 0.023 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.301 -2.708 0.073 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.063 -1.555 -0.114 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.876 0.891 -2.102 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -5.456 1.496 -2.084 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.325 1.055 -0.584 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -6.891 1.015 -0.566 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -4.808 2.218 0.365 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.627 2.168 1.721 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.855 1.060 2.606 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -4.187 3.402 2.087 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.128 4.179 1.031 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.518 3.432 -0.055 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -6.953 -0.599 -4.019 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -7.013 -0.457 -2.606 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 2.641 -4.235 -0.143 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.128 -4.636 1.053 0.00 0.00 -0.166 F ATOM 31 F LIG 1 3.892 -4.765 -0.216 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.903 -4.877 -1.092 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.018 0.221 -0.714 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.821 0.093 0.501 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 5.278 0.438 1.293 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.087 0.820 0.406 0.00 0.00 +0.055 C ATOM 37 C LIG 1 8.018 0.503 1.625 0.00 0.00 +0.028 C ATOM 38 C LIG 1 7.927 1.747 2.433 0.00 0.00 +0.069 C ATOM 39 C LIG 1 8.569 3.044 2.637 0.00 0.00 +0.255 C ATOM 40 F LIG 1 7.956 4.008 3.405 0.00 0.00 -0.205 F ATOM 41 F LIG 1 9.916 3.117 2.904 0.00 0.00 -0.205 F ATOM 42 C LIG 1 8.103 2.789 1.268 0.00 0.00 +0.069 C ATOM 43 C LIG 1 6.920 2.375 0.467 0.00 0.00 +0.028 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8