REMARK Name = BDB045493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.507 -1.482 -1.274 0.00 0.00 +0.037 A ATOM 2 C LIG 1 3.822 -1.281 -1.726 0.00 0.00 +0.025 A ATOM 3 C LIG 1 4.582 -2.357 -2.218 0.00 0.00 +0.028 A ATOM 4 C LIG 1 5.918 -2.532 -2.710 0.00 0.00 +0.100 A ATOM 5 N LIG 1 6.127 -3.822 -3.030 0.00 0.00 -0.173 NA ATOM 6 N LIG 1 4.956 -4.431 -2.777 0.00 0.00 -0.276 N ATOM 7 H LIG 1 4.885 -5.424 -2.966 0.00 0.00 +0.189 HD ATOM 8 C LIG 1 3.987 -3.610 -2.271 0.00 0.00 +0.066 A ATOM 9 C LIG 1 2.667 -3.851 -1.868 0.00 0.00 +0.028 A ATOM 10 C LIG 1 1.939 -2.759 -1.364 0.00 0.00 +0.015 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 6.983 -1.526 -2.860 0.00 0.00 +0.003 A ATOM 12 C LIG 1 6.700 -0.187 -3.143 0.00 0.00 +0.012 A ATOM 13 C LIG 1 7.726 0.758 -3.294 0.00 0.00 +0.024 A ATOM 14 C LIG 1 9.076 0.430 -3.133 0.00 0.00 +0.030 A ATOM 15 C LIG 1 9.348 -0.923 -2.879 0.00 0.00 +0.024 A ATOM 16 C LIG 1 8.328 -1.884 -2.745 0.00 0.00 +0.012 A BRANCH 14 17 ATOM 17 N LIG 1 10.084 1.368 -3.259 0.00 0.00 -0.324 N ATOM 18 C LIG 1 11.302 1.299 -2.444 0.00 0.00 +0.076 C ATOM 19 C LIG 1 10.941 1.735 -1.014 0.00 0.00 +0.053 C ATOM 20 C LIG 1 10.182 3.071 -0.944 0.00 0.00 +0.118 C ATOM 21 C LIG 1 9.381 3.470 -2.194 0.00 0.00 +0.053 C ATOM 22 C LIG 1 12.220 2.315 -3.144 0.00 0.00 +0.024 C ATOM 23 C LIG 1 11.273 3.275 -3.872 0.00 0.00 +0.024 C ATOM 24 C LIG 1 9.862 2.799 -3.492 0.00 0.00 +0.076 C BRANCH 20 25 ATOM 25 O LIG 1 11.082 4.124 -0.583 0.00 0.00 -0.392 OA ATOM 26 H LIG 1 11.673 4.306 -1.330 0.00 0.00 +0.210 HD ENDBRANCH 20 25 ENDBRANCH 14 17 ENDBRANCH 4 11 BRANCH 1 28 ATOM 27 O LIG 1 0.518 -0.510 -0.422 0.00 0.00 -0.270 OA ATOM 28 C LIG 1 1.699 -0.339 -0.739 0.00 0.00 +0.245 C ATOM 29 N LIG 1 2.333 0.878 -0.655 0.00 0.00 -0.303 N ATOM 30 H LIG 1 3.338 0.910 -0.582 0.00 0.00 +0.150 HD BRANCH 29 31 ATOM 31 C LIG 1 1.689 2.077 -0.156 0.00 0.00 +0.125 C BRANCH 31 32 ATOM 32 C LIG 1 2.013 2.331 1.319 0.00 0.00 +0.062 A ATOM 33 N LIG 1 3.202 1.887 1.822 0.00 0.00 -0.258 NA ATOM 34 C LIG 1 3.449 2.130 3.132 0.00 0.00 +0.111 A ATOM 35 C LIG 1 2.589 2.821 3.971 0.00 0.00 +0.020 A ATOM 36 C LIG 1 1.391 3.282 3.441 0.00 0.00 +0.003 A ATOM 37 C LIG 1 1.098 3.036 2.103 0.00 0.00 +0.025 A ENDBRANCH 31 32 BRANCH 31 38 ATOM 38 C LIG 1 2.163 3.238 -1.012 0.00 0.00 +0.015 C ATOM 39 C LIG 1 1.186 4.270 -1.529 0.00 0.00 +0.006 C ATOM 40 C LIG 1 1.806 3.294 -2.485 0.00 0.00 +0.006 C ENDBRANCH 31 38 ENDBRANCH 29 31 ENDBRANCH 1 28 TORSDOF 7