REMARK Name = BDB035440 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.369 0.258 0.933 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.721 0.076 1.792 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.771 -0.245 2.965 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.933 0.357 1.012 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.253 0.314 1.420 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.244 0.638 0.483 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.869 0.975 -0.840 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.519 1.014 -1.240 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.559 0.696 -0.283 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.070 0.645 -0.403 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.129 0.176 0.559 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.743 0.316 0.297 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.743 0.105 1.265 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.157 -0.257 2.547 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.511 -0.404 2.850 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.479 -0.192 1.869 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.207 0.418 -0.602 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -5.248 1.876 -1.194 0.00 0.00 +0.024 C ATOM 19 C LIG 1 -6.782 1.725 -1.353 0.00 0.00 +0.005 C ATOM 20 C LIG 1 -6.710 0.662 -0.225 0.00 0.00 +0.024 C BRANCH 17 23 ATOM 21 C LIG 1 -5.496 -2.800 -0.406 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -5.175 -2.050 -1.588 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.038 -0.696 -1.723 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -4.699 -0.425 -2.967 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -4.625 -1.611 -3.656 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -4.911 -2.577 -2.815 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 C LIG 1 -7.601 2.982 -1.093 0.00 0.00 +0.122 C BRANCH 27 28 ATOM 28 C LIG 1 -9.033 2.666 -1.022 0.00 0.00 +0.063 C ATOM 29 N LIG 1 -10.162 2.407 -0.950 0.00 0.00 -0.197 NA ENDBRANCH 27 28 ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 2.121 1.373 -2.647 0.00 0.00 +0.418 C ATOM 31 F LIG 1 1.235 2.406 -2.684 0.00 0.00 -0.166 F ATOM 32 F LIG 1 3.167 1.746 -3.433 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.515 0.338 -3.289 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.705 0.586 0.877 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.197 -0.789 0.809 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.915 -1.196 -0.082 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.641 -0.894 1.101 0.00 0.00 +0.017 C ATOM 38 C LIG 1 8.055 -2.370 0.823 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.421 -1.966 -0.619 0.00 0.00 +0.004 C ATOM 40 C LIG 1 8.476 -0.500 -0.149 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.063 -0.365 2.457 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9