REMARK Name = BDB045929 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.409 -0.710 1.922 0.00 0.00 +0.037 A ATOM 2 C LIG 1 2.638 -0.040 1.844 0.00 0.00 +0.018 A ATOM 3 C LIG 1 3.790 -0.592 2.420 0.00 0.00 -0.029 A ATOM 4 C LIG 1 3.695 -1.828 3.076 0.00 0.00 +0.005 A ATOM 5 C LIG 1 2.469 -2.487 3.177 0.00 0.00 +0.001 A ATOM 6 C LIG 1 1.324 -1.929 2.607 0.00 0.00 +0.013 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 -0.707 -0.961 0.758 0.00 0.00 -0.282 N ATOM 8 H LIG 1 -0.460 -1.941 0.763 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 0.218 -0.076 1.284 0.00 0.00 +0.248 C ATOM 10 O LIG 1 0.170 1.147 1.238 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 -4.405 -0.188 -1.139 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.662 0.881 -0.631 0.00 0.00 +0.015 A ATOM 13 C LIG 1 -2.434 0.650 0.004 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -1.930 -0.646 0.130 0.00 0.00 +0.034 A ATOM 15 C LIG 1 -2.672 -1.713 -0.392 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -3.898 -1.487 -1.027 0.00 0.00 +0.015 A BRANCH 11 19 ATOM 17 N LIG 1 -6.444 1.116 -1.453 0.00 0.00 -0.311 N ATOM 18 H LIG 1 -6.166 1.637 -0.633 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -5.714 0.004 -1.824 0.00 0.00 +0.244 C ATOM 20 O LIG 1 -6.104 -0.820 -2.643 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 -7.770 1.357 -1.983 0.00 0.00 +0.104 C BRANCH 21 22 ATOM 22 C LIG 1 -8.835 0.575 -1.215 0.00 0.00 +0.019 C BRANCH 22 23 ATOM 23 C LIG 1 -10.234 0.860 -1.763 0.00 0.00 +0.001 C BRANCH 23 25 ATOM 24 C LIG 1 -11.315 -1.335 -1.037 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -11.348 0.184 -0.962 0.00 0.00 -0.003 C ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 11 19 ENDBRANCH 7 14 ENDBRANCH 1 9 BRANCH 3 26 ATOM 26 C LIG 1 5.119 0.116 2.317 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 N LIG 1 5.957 -0.457 1.285 0.00 0.00 -0.257 N ATOM 28 C LIG 1 5.769 -0.235 -0.123 0.00 0.00 +0.121 C ATOM 29 C LIG 1 6.588 -1.362 -0.731 0.00 0.00 +0.256 C ATOM 30 O LIG 1 7.411 -1.865 0.331 0.00 0.00 -0.448 OA ATOM 31 C LIG 1 6.922 -1.400 1.518 0.00 0.00 +0.404 C ATOM 32 O LIG 1 7.296 -1.797 2.610 0.00 0.00 -0.226 OA BRANCH 28 33 ATOM 33 C LIG 1 6.166 1.173 -0.612 0.00 0.00 +0.061 C BRANCH 33 34 ATOM 34 C LIG 1 7.622 1.556 -0.470 0.00 0.00 -0.045 A ATOM 35 C LIG 1 8.155 1.912 0.776 0.00 0.00 +0.004 A ATOM 36 C LIG 1 9.502 2.257 0.900 0.00 0.00 +0.000 A ATOM 37 C LIG 1 10.329 2.260 -0.220 0.00 0.00 +0.000 A ATOM 38 C LIG 1 9.810 1.919 -1.466 0.00 0.00 +0.000 A ATOM 39 C LIG 1 8.464 1.571 -1.592 0.00 0.00 +0.004 A ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 26 27 ENDBRANCH 3 26 TORSDOF 11