REMARK Name = BDB000259 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.531 1.145 -1.209 0.00 0.00 +0.075 C ATOM 2 C LIG 1 1.479 1.978 -0.407 0.00 0.00 +0.038 C ATOM 3 C LIG 1 2.170 2.717 0.758 0.00 0.00 +0.025 C ATOM 4 C LIG 1 3.337 3.567 0.249 0.00 0.00 +0.081 C ATOM 5 N LIG 1 4.298 2.795 -0.541 0.00 0.00 -0.314 NA ATOM 6 H LIG 1 4.677 2.044 0.048 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 3.635 2.132 -1.672 0.00 0.00 +0.100 C ENDROOT BRANCH 2 8 ATOM 8 C LIG 1 0.248 1.160 -0.028 0.00 0.00 -0.042 A ATOM 9 C LIG 1 0.061 0.610 1.250 0.00 0.00 +0.007 A ATOM 10 C LIG 1 -1.062 -0.172 1.533 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -2.019 -0.394 0.549 0.00 0.00 +0.121 A ATOM 12 C LIG 1 -1.849 0.129 -0.729 0.00 0.00 +0.046 A ATOM 13 C LIG 1 -0.724 0.906 -1.012 0.00 0.00 +0.007 A BRANCH 11 14 ATOM 14 O LIG 1 -3.076 -1.207 0.851 0.00 0.00 -0.492 OA BRANCH 14 15 ATOM 15 C LIG 1 -4.305 -0.469 0.899 0.00 0.00 +0.231 C BRANCH 15 16 ATOM 16 C LIG 1 -5.406 -1.451 1.289 0.00 0.00 +0.069 C BRANCH 16 17 ATOM 17 C LIG 1 -6.761 -0.776 1.464 0.00 0.00 +0.163 C BRANCH 17 18 ATOM 18 O LIG 1 -7.156 0.008 0.342 0.00 0.00 -0.375 OA BRANCH 18 19 ATOM 19 C LIG 1 -7.520 -0.726 -0.829 0.00 0.00 +0.198 C BRANCH 19 20 ATOM 20 C LIG 1 -8.807 -1.498 -0.677 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -10.049 -0.852 -0.626 0.00 0.00 +0.125 A ATOM 22 C LIG 1 -11.234 -1.583 -0.514 0.00 0.00 +0.046 A ATOM 23 C LIG 1 -11.188 -2.972 -0.412 0.00 0.00 +0.004 A ATOM 24 C LIG 1 -9.960 -3.629 -0.437 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -8.777 -2.899 -0.572 0.00 0.00 +0.009 A BRANCH 21 26 ATOM 26 O LIG 1 -10.111 0.510 -0.770 0.00 0.00 -0.495 OA ATOM 27 C LIG 1 -10.392 1.130 0.485 0.00 0.00 +0.277 C ENDBRANCH 21 26 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 2 8 BRANCH 1 28 ATOM 28 N LIG 1 3.049 0.026 -0.377 0.00 0.00 -0.308 NA ATOM 29 H LIG 1 2.240 -0.484 -0.019 0.00 0.00 +0.123 HD BRANCH 28 30 ATOM 30 C LIG 1 3.875 -0.931 -1.119 0.00 0.00 +0.116 C BRANCH 30 36 ATOM 31 C LIG 1 10.070 -0.012 0.855 0.00 0.00 +0.121 A ATOM 32 C LIG 1 9.531 -0.176 -0.422 0.00 0.00 +0.054 A ATOM 33 C LIG 1 8.146 -0.352 -0.604 0.00 0.00 -0.014 A ATOM 34 C LIG 1 7.292 -0.359 0.521 0.00 0.00 -0.017 A ATOM 35 C LIG 1 5.911 -0.539 0.338 0.00 0.00 +0.013 A ATOM 36 C LIG 1 5.357 -0.702 -0.942 0.00 0.00 -0.033 A ATOM 37 C LIG 1 6.214 -0.703 -2.048 0.00 0.00 +0.005 A ATOM 38 C LIG 1 7.843 -0.185 1.798 0.00 0.00 +0.012 A ATOM 39 C LIG 1 7.590 -0.525 -1.881 0.00 0.00 +0.009 A ATOM 40 C LIG 1 9.219 -0.013 1.960 0.00 0.00 +0.046 A BRANCH 31 42 ATOM 41 C LIG 1 12.315 0.057 0.079 0.00 0.00 +0.277 C ATOM 42 O LIG 1 11.393 0.162 1.155 0.00 0.00 -0.495 OA ENDBRANCH 31 42 ENDBRANCH 30 36 ENDBRANCH 28 30 ENDBRANCH 1 28 TORSDOF 13