REMARK Name = BDB053255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.827 0.268 -0.270 0.00 0.00 +0.220 A ATOM 2 N LIG 1 2.102 -0.006 -0.596 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 3.023 0.208 0.352 0.00 0.00 +0.097 A ATOM 4 C LIG 1 4.404 -0.087 0.026 0.00 0.00 +0.091 A ATOM 5 N LIG 1 5.022 -0.283 -1.176 0.00 0.00 -0.259 N ATOM 6 N LIG 1 6.344 -0.560 -1.046 0.00 0.00 -0.166 NA ATOM 7 C LIG 1 6.582 -0.497 0.283 0.00 0.00 +0.151 A ATOM 8 C LIG 1 5.394 -0.185 0.985 0.00 0.00 +0.012 A ATOM 9 C LIG 1 5.101 -0.010 2.437 0.00 0.00 +0.044 C ATOM 10 C LIG 1 3.840 0.868 2.652 0.00 0.00 +0.043 C ATOM 11 C LIG 1 2.745 0.631 1.641 0.00 0.00 -0.001 A ATOM 12 C LIG 1 1.419 0.888 1.873 0.00 0.00 +0.120 A ATOM 13 N LIG 1 0.459 0.711 0.943 0.00 0.00 -0.222 NA ENDROOT BRANCH 7 14 ATOM 14 C LIG 1 7.921 -0.740 0.840 0.00 0.00 +0.262 C ATOM 15 O LIG 1 8.184 -0.711 2.038 0.00 0.00 -0.269 OA ATOM 16 N LIG 1 8.876 -1.011 -0.099 0.00 0.00 -0.324 N ATOM 17 H LIG 1 9.820 -1.217 0.188 0.00 0.00 +0.145 HD ATOM 18 H LIG 1 8.599 -1.048 -1.073 0.00 0.00 +0.145 HD ENDBRANCH 7 14 BRANCH 1 19 ATOM 19 N LIG 1 -0.089 0.044 -1.291 0.00 0.00 -0.281 N ATOM 20 H LIG 1 0.374 -0.375 -2.089 0.00 0.00 +0.155 HD BRANCH 19 23 ATOM 21 C LIG 1 -3.728 0.638 -0.478 0.00 0.00 +0.032 A ATOM 22 C LIG 1 -2.321 0.573 -0.359 0.00 0.00 +0.050 A ATOM 23 C LIG 1 -1.486 0.126 -1.392 0.00 0.00 +0.078 A ATOM 24 C LIG 1 -2.095 -0.217 -2.610 0.00 0.00 +0.151 A ATOM 25 C LIG 1 -3.479 -0.189 -2.760 0.00 0.00 +0.050 A ATOM 26 C LIG 1 -4.282 0.243 -1.702 0.00 0.00 +0.027 A BRANCH 21 31 ATOM 27 C LIG 1 -7.015 -1.226 2.734 0.00 0.00 +0.105 C ATOM 28 N LIG 1 -6.711 0.168 2.421 0.00 0.00 -0.302 NA ATOM 29 C LIG 1 -6.856 0.417 0.967 0.00 0.00 +0.103 C ATOM 30 C LIG 1 -5.900 1.504 0.428 0.00 0.00 +0.120 C ATOM 31 N LIG 1 -4.495 1.087 0.604 0.00 0.00 -0.327 N ATOM 32 C LIG 1 -4.215 0.389 1.885 0.00 0.00 +0.120 C ATOM 33 C LIG 1 -5.367 0.558 2.905 0.00 0.00 +0.103 C ENDBRANCH 21 31 BRANCH 24 34 ATOM 34 O LIG 1 -1.298 -0.662 -3.636 0.00 0.00 -0.404 OA BRANCH 34 35 ATOM 35 C LIG 1 -1.226 0.295 -4.687 0.00 0.00 +0.575 C ATOM 36 F LIG 1 -2.397 0.372 -5.357 0.00 0.00 -0.133 F ATOM 37 F LIG 1 -0.273 -0.098 -5.562 0.00 0.00 -0.133 F ATOM 38 F LIG 1 -0.889 1.518 -4.226 0.00 0.00 -0.133 F ENDBRANCH 34 35 ENDBRANCH 24 34 ENDBRANCH 19 23 ENDBRANCH 1 19 BRANCH 5 39 ATOM 39 C LIG 1 4.474 -0.163 -2.520 0.00 0.00 +0.172 C BRANCH 39 40 ATOM 40 C LIG 1 3.900 -1.480 -3.035 0.00 0.00 +0.179 C BRANCH 40 41 ATOM 41 O LIG 1 2.506 -1.607 -2.751 0.00 0.00 -0.393 OA ATOM 42 H LIG 1 2.391 -1.381 -1.804 0.00 0.00 +0.209 HD ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 5 39 TORSDOF 9