REMARK Name = BDB030933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.127 -1.036 1.707 0.00 0.00 +0.090 A ATOM 2 C LIG 1 0.554 -1.879 2.708 0.00 0.00 +0.099 A ATOM 3 C LIG 1 1.795 -2.431 2.493 0.00 0.00 +0.129 A ATOM 4 N LIG 1 2.545 -2.200 1.398 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 2.030 -1.392 0.467 0.00 0.00 +0.216 A ATOM 6 N LIG 1 0.846 -0.793 0.587 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 -4.408 0.697 0.574 0.00 0.00 +0.165 A ATOM 8 C LIG 1 -3.208 0.493 1.267 0.00 0.00 +0.091 A ATOM 9 C LIG 1 -2.222 -0.379 0.806 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -1.145 -0.334 1.746 0.00 0.00 +0.026 A ATOM 11 C LIG 1 -1.496 0.572 2.729 0.00 0.00 +0.093 A ATOM 12 C LIG 1 -2.460 -1.084 -0.391 0.00 0.00 +0.013 A ATOM 13 C LIG 1 -3.679 -0.922 -1.072 0.00 0.00 +0.028 A ATOM 14 N LIG 1 -2.752 1.039 2.444 0.00 0.00 -0.357 N ATOM 15 H LIG 1 -3.278 1.698 3.003 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 -4.658 -0.054 -0.591 0.00 0.00 +0.080 A BRANCH 16 17 ATOM 17 N LIG 1 -5.911 0.123 -1.208 0.00 0.00 -0.248 N ATOM 18 H LIG 1 -6.557 0.742 -0.735 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -6.402 -0.457 -2.338 0.00 0.00 +0.404 C ATOM 20 O LIG 1 -5.844 -1.247 -3.084 0.00 0.00 -0.226 OA BRANCH 19 21 ATOM 21 O LIG 1 -7.670 0.000 -2.529 0.00 0.00 -0.453 OA ATOM 22 C LIG 1 -8.314 -0.533 -3.687 0.00 0.00 +0.282 C ENDBRANCH 19 21 ENDBRANCH 16 17 BRANCH 7 23 ATOM 23 O LIG 1 -5.366 1.570 1.048 0.00 0.00 -0.488 OA BRANCH 23 25 ATOM 24 C LIG 1 -6.217 3.800 1.019 0.00 0.00 +0.048 C ATOM 25 C LIG 1 -5.076 2.897 0.587 0.00 0.00 +0.226 C ENDBRANCH 23 25 ENDBRANCH 7 23 ENDBRANCH 1 10 BRANCH 2 26 ATOM 26 C LIG 1 -0.220 -2.193 3.933 0.00 0.00 +0.421 C ATOM 27 F LIG 1 0.296 -3.253 4.623 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -1.519 -2.524 3.700 0.00 0.00 -0.166 F ATOM 29 F LIG 1 -0.238 -1.167 4.828 0.00 0.00 -0.166 F ENDBRANCH 2 26 BRANCH 5 30 ATOM 30 N LIG 1 2.725 -1.119 -0.697 0.00 0.00 -0.309 N ATOM 31 H LIG 1 2.286 -0.305 -1.115 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 4.180 -1.082 -0.603 0.00 0.00 +0.087 C ATOM 33 C LIG 1 4.678 0.141 0.204 0.00 0.00 +0.103 C ATOM 34 N LIG 1 6.139 0.307 0.198 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 6.549 -0.483 0.700 0.00 0.00 +0.123 HD ATOM 36 C LIG 1 6.716 0.366 -1.158 0.00 0.00 +0.014 C ATOM 37 C LIG 1 8.249 0.320 -1.005 0.00 0.00 +0.027 C ATOM 38 C LIG 1 6.351 1.694 -1.845 0.00 0.00 +0.027 C ATOM 39 C LIG 1 6.266 -0.849 -2.000 0.00 0.00 +0.023 C ATOM 40 C LIG 1 4.749 -1.029 -2.027 0.00 0.00 +0.025 C ENDBRANCH 30 32 ENDBRANCH 5 30 TORSDOF 8