REMARK Name = BDB000126 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -4.965 1.279 -0.438 0.00 0.00 -0.269 N ATOM 2 H LIG 1 -4.364 1.251 -1.246 0.00 0.00 +0.156 HD ATOM 3 C LIG 1 -4.779 2.461 0.252 0.00 0.00 +0.307 C ATOM 4 N LIG 1 -3.454 2.773 0.461 0.00 0.00 -0.275 N ATOM 5 C LIG 1 -2.308 1.848 0.269 0.00 0.00 +0.150 C ATOM 6 C LIG 1 -1.207 2.642 0.819 0.00 0.00 +0.034 A ATOM 7 C LIG 1 -1.659 3.858 1.328 0.00 0.00 +0.087 A ATOM 8 N LIG 1 -0.698 4.620 1.837 0.00 0.00 -0.175 NA ATOM 9 N LIG 1 0.406 3.850 1.641 0.00 0.00 -0.263 N ATOM 10 H LIG 1 1.319 4.189 1.934 0.00 0.00 +0.190 HD ATOM 11 C LIG 1 0.142 2.634 1.029 0.00 0.00 +0.126 A ATOM 12 C LIG 1 -3.114 4.026 1.188 0.00 0.00 +0.167 C ATOM 13 O LIG 1 -5.682 3.198 0.635 0.00 0.00 -0.252 OA ENDROOT BRANCH 1 15 ATOM 14 C LIG 1 -7.051 0.329 0.479 0.00 0.00 -0.026 A ATOM 15 C LIG 1 -6.246 0.699 -0.625 0.00 0.00 +0.041 A ATOM 16 C LIG 1 -6.678 0.412 -1.943 0.00 0.00 -0.026 A ATOM 17 C LIG 1 -7.929 -0.198 -2.139 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -8.740 -0.525 -1.059 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -8.302 -0.269 0.236 0.00 0.00 +0.005 A BRANCH 14 21 ATOM 20 C LIG 1 -5.591 -0.644 2.290 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -6.608 0.429 1.925 0.00 0.00 +0.033 C ENDBRANCH 14 21 BRANCH 16 22 ATOM 22 C LIG 1 -5.867 0.745 -3.177 0.00 0.00 +0.033 C ATOM 23 C LIG 1 -4.872 -0.355 -3.520 0.00 0.00 +0.009 C ENDBRANCH 16 22 ENDBRANCH 1 15 BRANCH 11 24 ATOM 24 N LIG 1 1.099 1.685 0.737 0.00 0.00 -0.266 N ATOM 25 H LIG 1 0.806 0.842 0.261 0.00 0.00 +0.157 HD ATOM 26 C LIG 1 2.440 1.903 1.009 0.00 0.00 +0.249 C ATOM 27 O LIG 1 2.899 2.939 1.482 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 3.358 0.786 0.657 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.651 1.094 0.231 0.00 0.00 +0.015 A ATOM 30 C LIG 1 5.544 0.072 -0.117 0.00 0.00 +0.024 A ATOM 31 C LIG 1 5.179 -1.279 -0.034 0.00 0.00 +0.030 A ATOM 32 C LIG 1 3.877 -1.564 0.417 0.00 0.00 +0.024 A ATOM 33 C LIG 1 2.974 -0.552 0.763 0.00 0.00 +0.015 A BRANCH 31 34 ATOM 34 N LIG 1 6.033 -2.334 -0.369 0.00 0.00 -0.327 N ATOM 35 C LIG 1 7.198 -2.103 -1.250 0.00 0.00 +0.120 C ATOM 36 C LIG 1 8.511 -2.099 -0.438 0.00 0.00 +0.103 C ATOM 37 N LIG 1 8.793 -3.392 0.230 0.00 0.00 -0.302 NA ATOM 38 C LIG 1 9.584 -3.182 1.440 0.00 0.00 +0.105 C ATOM 39 C LIG 1 7.547 -4.140 0.508 0.00 0.00 +0.103 C ATOM 40 C LIG 1 6.293 -3.269 0.757 0.00 0.00 +0.120 C ENDBRANCH 31 34 ENDBRANCH 26 28 ENDBRANCH 11 24 TORSDOF 6