REMARK Name = BDB045935 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.789 -1.883 0.350 0.00 0.00 +0.037 A ATOM 2 C LIG 1 2.706 -1.449 1.316 0.00 0.00 +0.018 A ATOM 3 C LIG 1 3.838 -2.217 1.623 0.00 0.00 -0.029 A ATOM 4 C LIG 1 4.029 -3.436 0.955 0.00 0.00 +0.005 A ATOM 5 C LIG 1 3.127 -3.864 -0.021 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.010 -3.087 -0.331 0.00 0.00 +0.013 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 -0.552 -1.702 -0.253 0.00 0.00 -0.282 N ATOM 8 H LIG 1 -0.538 -2.707 -0.135 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 0.611 -1.018 0.054 0.00 0.00 +0.248 C ATOM 10 O LIG 1 0.749 0.196 0.141 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 -4.344 -0.198 -1.357 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.272 0.689 -1.216 0.00 0.00 +0.015 A ATOM 13 C LIG 1 -2.007 0.214 -0.846 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -1.796 -1.148 -0.620 0.00 0.00 +0.034 A ATOM 15 C LIG 1 -2.867 -2.035 -0.785 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -4.132 -1.564 -1.153 0.00 0.00 +0.015 A BRANCH 11 19 ATOM 17 N LIG 1 -6.046 1.550 -1.402 0.00 0.00 -0.311 N ATOM 18 H LIG 1 -5.455 2.058 -0.758 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -5.707 0.258 -1.749 0.00 0.00 +0.244 C ATOM 20 O LIG 1 -6.470 -0.514 -2.319 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 -7.375 2.072 -1.646 0.00 0.00 +0.104 C BRANCH 21 22 ATOM 22 C LIG 1 -8.351 1.665 -0.543 0.00 0.00 +0.019 C BRANCH 22 23 ATOM 23 C LIG 1 -9.744 2.244 -0.796 0.00 0.00 +0.001 C BRANCH 23 25 ATOM 24 C LIG 1 -11.061 0.479 0.493 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -10.735 1.956 0.334 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 4.823 -1.754 2.669 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 N LIG 1 6.169 -1.640 2.140 0.00 0.00 -0.257 N ATOM 28 C LIG 1 6.700 -0.431 1.560 0.00 0.00 +0.121 C ATOM 29 C LIG 1 8.110 -0.876 1.214 0.00 0.00 +0.256 C ATOM 30 O LIG 1 8.395 -1.929 2.146 0.00 0.00 -0.448 OA ATOM 31 C LIG 1 7.203 -2.424 2.598 0.00 0.00 +0.404 C ATOM 32 O LIG 1 7.108 -3.407 3.314 0.00 0.00 -0.226 OA BRANCH 28 33 ATOM 33 C LIG 1 5.926 0.129 0.364 0.00 0.00 +0.061 C BRANCH 33 34 ATOM 34 C LIG 1 6.572 1.361 -0.224 0.00 0.00 -0.045 A ATOM 35 C LIG 1 6.499 2.590 0.446 0.00 0.00 +0.004 A ATOM 36 C LIG 1 7.115 3.723 -0.087 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.807 3.639 -1.294 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.881 2.424 -1.970 0.00 0.00 +0.000 A ATOM 39 C LIG 1 7.266 1.289 -1.440 0.00 0.00 +0.004 A ENDBRANCH 33 34 ENDBRANCH 28 33 ENDBRANCH 26 27 ENDBRANCH 3 26 TORSDOF 11