REMARK Name = BDB017388 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.561 -0.424 -1.860 0.00 0.00 +0.188 C ATOM 2 C LIG 1 3.209 -1.771 -2.219 0.00 0.00 +0.147 C ATOM 3 C LIG 1 4.731 -1.773 -2.260 0.00 0.00 +0.040 C ATOM 4 O LIG 1 2.796 -2.747 -1.252 0.00 0.00 -0.353 OA ATOM 5 C LIG 1 1.421 -3.062 -1.398 0.00 0.00 +0.209 C ATOM 6 N LIG 1 0.593 -1.896 -1.617 0.00 0.00 -0.262 N ATOM 7 C LIG 1 -0.725 -2.219 -1.072 0.00 0.00 +0.164 C ATOM 8 C LIG 1 -0.381 -2.898 0.246 0.00 0.00 +0.036 C ATOM 9 C LIG 1 0.881 -3.701 -0.106 0.00 0.00 +0.054 C ATOM 10 C LIG 1 1.188 -0.696 -1.223 0.00 0.00 +0.241 C ATOM 11 O LIG 1 0.663 0.100 -0.443 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 13 ATOM 12 C LIG 1 4.198 1.346 -1.285 0.00 0.00 +0.230 C ATOM 13 N LIG 1 3.300 0.382 -0.886 0.00 0.00 -0.301 N ATOM 14 H LIG 1 2.882 0.466 0.035 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 4.529 1.502 -2.460 0.00 0.00 -0.274 OA BRANCH 12 16 ATOM 16 C LIG 1 4.715 2.246 -0.139 0.00 0.00 +0.137 C ATOM 17 C LIG 1 3.784 3.454 -0.040 0.00 0.00 +0.034 C BRANCH 16 19 ATOM 18 C LIG 1 6.711 3.504 0.539 0.00 0.00 +0.101 C ATOM 19 N LIG 1 6.126 2.575 -0.410 0.00 0.00 -0.309 NA ATOM 20 H LIG 1 6.195 2.941 -1.363 0.00 0.00 +0.122 HD ENDBRANCH 16 19 ENDBRANCH 12 16 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 C LIG 1 -1.782 -1.096 -1.119 0.00 0.00 +0.234 C ATOM 22 N LIG 1 -2.662 -1.065 -0.059 0.00 0.00 -0.303 N ATOM 23 H LIG 1 -2.379 -1.493 0.809 0.00 0.00 +0.150 HD ATOM 24 O LIG 1 -1.884 -0.352 -2.095 0.00 0.00 -0.274 OA BRANCH 22 25 ATOM 25 C LIG 1 -3.623 0.019 0.089 0.00 0.00 +0.134 C BRANCH 25 26 ATOM 26 C LIG 1 -3.153 0.929 1.223 0.00 0.00 -0.023 A ATOM 27 C LIG 1 -3.645 0.829 2.536 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -3.156 1.662 3.546 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -2.159 2.593 3.265 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -1.645 2.692 1.975 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -2.135 1.864 0.963 0.00 0.00 +0.006 A ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 C LIG 1 -5.055 -0.495 0.235 0.00 0.00 -0.023 A ATOM 33 C LIG 1 -5.361 -1.806 0.638 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -6.689 -2.220 0.775 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.730 -1.333 0.514 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.447 -0.029 0.116 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -6.122 0.387 -0.021 0.00 0.00 +0.006 A ENDBRANCH 25 32 ENDBRANCH 22 25 ENDBRANCH 7 21 TORSDOF 7