REMARK Name = BDB000135 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.752 0.766 0.338 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -2.516 -0.357 0.692 0.00 0.00 +0.164 A ATOM 3 C LIG 1 -1.868 -1.529 1.097 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -0.484 -1.619 1.167 0.00 0.00 +0.080 A ATOM 5 C LIG 1 0.287 -0.498 0.836 0.00 0.00 +0.044 A ATOM 6 C LIG 1 1.682 -0.669 0.950 0.00 0.00 +0.134 A ATOM 7 N LIG 1 2.230 -1.839 1.318 0.00 0.00 -0.220 NA ATOM 8 C LIG 1 1.389 -2.837 1.599 0.00 0.00 +0.223 A ATOM 9 N LIG 1 0.055 -2.778 1.550 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 -0.360 0.692 0.412 0.00 0.00 +0.062 A ENDROOT BRANCH 1 12 ATOM 11 C LIG 1 -1.723 2.958 -0.617 0.00 0.00 +0.277 C ATOM 12 O LIG 1 -2.453 1.877 -0.054 0.00 0.00 -0.491 OA ENDBRANCH 1 12 BRANCH 6 13 ATOM 13 N LIG 1 2.538 0.434 0.683 0.00 0.00 -0.297 N ATOM 14 H LIG 1 2.245 1.218 1.258 0.00 0.00 +0.154 HD BRANCH 13 15 ATOM 15 C LIG 1 3.931 0.411 0.495 0.00 0.00 +0.069 A ATOM 16 C LIG 1 4.655 -0.660 0.010 0.00 0.00 +0.139 A ATOM 17 N LIG 1 5.985 -0.639 -0.243 0.00 0.00 -0.221 NA ATOM 18 C LIG 1 6.627 0.507 -0.021 0.00 0.00 +0.222 A ATOM 19 N LIG 1 6.032 1.631 0.408 0.00 0.00 -0.221 NA ATOM 20 C LIG 1 4.701 1.552 0.641 0.00 0.00 +0.139 A BRANCH 18 21 ATOM 21 N LIG 1 7.988 0.646 -0.242 0.00 0.00 -0.250 N ATOM 22 H LIG 1 8.318 1.569 -0.014 0.00 0.00 +0.158 HD ATOM 23 C LIG 1 8.852 -0.348 -0.624 0.00 0.00 +0.251 C ATOM 24 O LIG 1 8.596 -1.534 -0.785 0.00 0.00 -0.270 OA BRANCH 23 25 ATOM 25 C LIG 1 10.262 0.090 -0.818 0.00 0.00 +0.040 A ATOM 26 C LIG 1 11.282 -0.818 -0.531 0.00 0.00 +0.033 A ATOM 27 C LIG 1 12.588 -0.407 -0.714 0.00 0.00 +0.111 A ATOM 28 N LIG 1 12.930 0.820 -1.162 0.00 0.00 -0.263 NA ATOM 29 C LIG 1 11.924 1.670 -1.456 0.00 0.00 +0.111 A ATOM 30 C LIG 1 10.584 1.358 -1.305 0.00 0.00 +0.033 A ENDBRANCH 23 25 ENDBRANCH 18 21 ENDBRANCH 13 15 ENDBRANCH 6 13 BRANCH 2 31 ATOM 31 O LIG 1 -3.877 -0.209 0.610 0.00 0.00 -0.488 OA BRANCH 31 32 ATOM 32 C LIG 1 -4.691 -1.359 0.829 0.00 0.00 +0.230 C BRANCH 32 33 ATOM 33 C LIG 1 -6.155 -0.977 0.604 0.00 0.00 +0.056 C BRANCH 33 34 ATOM 34 C LIG 1 -6.411 -0.552 -0.850 0.00 0.00 +0.088 C BRANCH 34 35 ATOM 35 N LIG 1 -7.790 -0.198 -1.208 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -8.746 -1.310 -1.071 0.00 0.00 +0.112 C ATOM 37 C LIG 1 -10.146 -0.886 -1.546 0.00 0.00 +0.175 C ATOM 38 O LIG 1 -10.620 0.254 -0.814 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 -9.710 1.352 -0.973 0.00 0.00 +0.175 C ATOM 40 C LIG 1 -8.299 0.982 -0.486 0.00 0.00 +0.112 C ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 10