REMARK Name = BDB035184 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.675 -0.821 0.393 0.00 0.00 +0.189 A ATOM 2 N LIG 1 2.670 -0.549 1.241 0.00 0.00 -0.143 NA ATOM 3 N LIG 1 2.255 -1.788 1.574 0.00 0.00 -0.198 N ATOM 4 C LIG 1 3.017 -2.746 0.957 0.00 0.00 +0.160 A ATOM 5 C LIG 1 2.696 -4.085 1.258 0.00 0.00 +0.068 A ATOM 6 C LIG 1 1.680 -4.316 2.108 0.00 0.00 +0.116 A ATOM 7 N LIG 1 0.905 -3.343 2.713 0.00 0.00 -0.240 NA ATOM 8 C LIG 1 1.204 -2.100 2.434 0.00 0.00 +0.137 A ATOM 9 N LIG 1 3.909 -2.167 0.189 0.00 0.00 -0.206 NA ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 5.354 0.996 0.336 0.00 0.00 +0.229 A ATOM 11 C LIG 1 4.423 0.195 -0.305 0.00 0.00 +0.104 A ATOM 12 C LIG 1 4.248 0.417 -1.668 0.00 0.00 +0.062 A ATOM 13 N LIG 1 4.971 1.367 -2.318 0.00 0.00 -0.239 NA ATOM 14 C LIG 1 5.843 2.083 -1.595 0.00 0.00 +0.225 A ATOM 15 N LIG 1 6.076 1.950 -0.287 0.00 0.00 -0.201 NA BRANCH 12 16 ATOM 16 C LIG 1 3.254 -0.381 -2.496 0.00 0.00 +0.039 C ATOM 17 C LIG 1 1.769 -0.139 -2.330 0.00 0.00 +0.010 C ATOM 18 C LIG 1 2.455 0.294 -3.589 0.00 0.00 +0.010 C ENDBRANCH 12 16 BRANCH 10 20 ATOM 19 C LIG 1 6.519 1.675 2.263 0.00 0.00 +0.279 C ATOM 20 O LIG 1 5.566 0.788 1.688 0.00 0.00 -0.479 OA ENDBRANCH 10 20 ENDBRANCH 1 11 BRANCH 8 21 ATOM 21 C LIG 1 0.431 -0.930 2.976 0.00 0.00 +0.111 C BRANCH 21 22 ATOM 22 C LIG 1 -0.653 -0.478 2.025 0.00 0.00 -0.040 A ATOM 23 C LIG 1 -1.822 -1.235 1.872 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -2.809 -0.842 0.964 0.00 0.00 +0.012 A ATOM 25 C LIG 1 -2.650 0.317 0.197 0.00 0.00 +0.017 A ATOM 26 C LIG 1 -1.471 1.060 0.334 0.00 0.00 +0.012 A ATOM 27 C LIG 1 -0.484 0.671 1.244 0.00 0.00 +0.005 A BRANCH 25 28 ATOM 28 C LIG 1 -3.658 0.749 -0.770 0.00 0.00 +0.142 A ATOM 29 N LIG 1 -4.992 0.970 -0.503 0.00 0.00 -0.327 N ATOM 30 C LIG 1 -5.602 1.428 -1.633 0.00 0.00 +0.120 A ATOM 31 C LIG 1 -4.611 1.464 -2.599 0.00 0.00 +0.162 A ATOM 32 N LIG 1 -3.409 1.052 -2.035 0.00 0.00 -0.224 NA BRANCH 31 33 ATOM 33 C LIG 1 -4.720 1.884 -4.035 0.00 0.00 +0.436 C ATOM 34 F LIG 1 -4.398 0.882 -4.894 0.00 0.00 -0.164 F ATOM 35 F LIG 1 -5.988 2.269 -4.353 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -3.915 2.938 -4.329 0.00 0.00 -0.164 F ENDBRANCH 31 33 BRANCH 29 37 ATOM 37 C LIG 1 -5.645 0.884 0.824 0.00 0.00 +0.089 C ATOM 38 C LIG 1 -7.140 0.769 1.020 0.00 0.00 +0.027 C ATOM 39 C LIG 1 -6.259 -0.403 1.326 0.00 0.00 +0.027 C ENDBRANCH 29 37 ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 8