REMARK Name = BDB039369 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.886 0.259 0.210 0.00 0.00 -0.282 N ATOM 2 C LIG 1 -4.109 1.166 0.916 0.00 0.00 +0.248 C ATOM 3 O LIG 1 -4.464 2.162 1.514 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -2.718 0.715 0.797 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -2.693 -0.392 -0.047 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -1.495 -1.022 -0.339 0.00 0.00 +0.014 A ATOM 7 C LIG 1 -0.307 -0.526 0.232 0.00 0.00 -0.014 A ATOM 8 C LIG 1 -0.367 0.596 1.097 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -1.580 1.232 1.381 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -4.071 -0.702 -0.521 0.00 0.00 +0.144 C ENDROOT BRANCH 1 17 ATOM 11 O LIG 1 -9.846 2.505 -0.630 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -8.775 1.943 -0.416 0.00 0.00 +0.219 C ATOM 13 N LIG 1 -7.689 2.161 -1.225 0.00 0.00 -0.255 N ATOM 14 H LIG 1 -7.820 2.827 -1.973 0.00 0.00 +0.158 HD ATOM 15 C LIG 1 -6.479 1.505 -1.211 0.00 0.00 +0.240 C ATOM 16 O LIG 1 -5.660 1.697 -2.109 0.00 0.00 -0.273 OA ATOM 17 C LIG 1 -6.296 0.453 -0.106 0.00 0.00 +0.163 C ATOM 18 C LIG 1 -7.157 0.796 1.110 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -8.611 0.915 0.680 0.00 0.00 +0.098 C ENDBRANCH 1 17 BRANCH 7 20 ATOM 20 C LIG 1 0.985 -1.200 -0.059 0.00 0.00 +0.025 A ATOM 21 C LIG 1 1.167 -2.629 -0.027 0.00 0.00 +0.145 A ATOM 22 N LIG 1 2.432 -3.123 -0.330 0.00 0.00 -0.306 N ATOM 23 C LIG 1 2.362 -4.489 -0.229 0.00 0.00 +0.112 A ATOM 24 C LIG 1 1.064 -4.766 0.125 0.00 0.00 +0.131 A ATOM 25 C LIG 1 3.519 -2.327 -0.669 0.00 0.00 +0.097 A ATOM 26 C LIG 1 3.371 -0.990 -0.715 0.00 0.00 -0.016 A ATOM 27 N LIG 1 0.331 -3.615 0.243 0.00 0.00 -0.235 NA ATOM 28 C LIG 1 2.048 -0.435 -0.410 0.00 0.00 +0.018 A BRANCH 26 29 ATOM 29 C LIG 1 4.485 -0.038 -1.083 0.00 0.00 +0.121 C BRANCH 29 30 ATOM 30 N LIG 1 4.770 0.961 -0.040 0.00 0.00 -0.298 NA ATOM 31 C LIG 1 5.606 2.065 -0.535 0.00 0.00 +0.090 C ATOM 32 C LIG 1 7.065 1.679 -0.743 0.00 0.00 +0.091 C ATOM 33 C LIG 1 7.628 1.072 0.524 0.00 0.00 +0.251 C ATOM 34 F LIG 1 7.750 2.039 1.471 0.00 0.00 -0.206 F ATOM 35 F LIG 1 8.884 0.615 0.285 0.00 0.00 -0.206 F ATOM 36 C LIG 1 6.778 -0.057 1.066 0.00 0.00 +0.091 C ATOM 37 C LIG 1 5.329 0.395 1.198 0.00 0.00 +0.090 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 7 20 TORSDOF 4