REMARK Name = BDB024445 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.619 -0.601 -0.988 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.921 -1.204 0.381 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.106 -2.582 0.579 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.402 -3.087 1.847 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.527 -2.226 2.934 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.355 -0.856 2.756 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.054 -0.349 1.491 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.023 -1.590 -2.025 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.310 -1.608 -2.311 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.524 -2.114 -3.162 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 -0.731 -2.382 -2.663 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.455 -1.107 -1.703 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.532 -1.133 -2.513 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.713 -0.680 -2.020 0.00 0.00 +0.121 A ATOM 15 C LIG 1 4.897 -0.212 -0.726 0.00 0.00 +0.003 A ATOM 16 C LIG 1 3.776 -0.234 0.103 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.547 -0.692 -0.385 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.194 0.249 -0.267 0.00 0.00 +0.021 A ATOM 19 C LIG 1 6.409 1.117 0.785 0.00 0.00 +0.116 A ATOM 20 N LIG 1 7.761 1.296 0.868 0.00 0.00 -0.274 N ATOM 21 C LIG 1 8.473 2.123 1.812 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.448 0.608 -0.058 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.497 -0.026 -0.747 0.00 0.00 +0.143 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -1.780 0.163 -1.535 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.046 0.848 -0.829 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.950 -0.659 -1.879 0.00 0.00 +0.090 C BRANCH 26 27 ATOM 27 C LIG 1 -4.240 0.196 -1.993 0.00 0.00 +0.033 C ATOM 28 C LIG 1 -5.414 -0.680 -2.444 0.00 0.00 +0.014 C BRANCH 27 33 ATOM 29 C LIG 1 -5.539 3.037 2.805 0.00 0.00 +0.088 C ATOM 30 C LIG 1 -5.224 2.284 1.552 0.00 0.00 +0.126 A ATOM 31 N LIG 1 -5.136 2.984 0.407 0.00 0.00 -0.240 NA ATOM 32 C LIG 1 -4.831 2.282 -0.702 0.00 0.00 +0.118 A ATOM 33 C LIG 1 -4.595 0.922 -0.717 0.00 0.00 -0.007 A ATOM 34 C LIG 1 -4.703 0.309 0.516 0.00 0.00 +0.118 A ATOM 35 N LIG 1 -5.006 0.961 1.657 0.00 0.00 -0.240 NA ENDBRANCH 27 33 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8