REMARK Name = BDB011086 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.172 1.738 0.438 0.00 0.00 +0.120 A ATOM 2 N LIG 1 0.581 0.490 0.643 0.00 0.00 -0.324 N ATOM 3 C LIG 1 1.467 -0.472 0.171 0.00 0.00 +0.114 A ATOM 4 C LIG 1 2.438 0.263 -0.487 0.00 0.00 +0.182 A ATOM 5 N LIG 1 3.457 -0.256 -1.188 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 3.447 -1.593 -1.193 0.00 0.00 +0.202 A ATOM 7 N LIG 1 2.585 -2.407 -0.558 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 1.583 -1.862 0.172 0.00 0.00 +0.102 A ATOM 9 N LIG 1 2.263 1.590 -0.299 0.00 0.00 -0.212 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 4.525 -2.229 -1.981 0.00 0.00 +0.220 A ATOM 11 N LIG 1 5.424 -1.455 -2.611 0.00 0.00 -0.269 N ATOM 12 H LIG 1 5.463 -0.448 -2.617 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 6.272 -2.277 -3.241 0.00 0.00 +0.440 A ATOM 14 O LIG 1 7.227 -1.938 -3.922 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 5.888 -3.571 -2.993 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 4.727 -3.495 -2.156 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 C LIG 1 0.773 -2.811 0.918 0.00 0.00 +0.022 A ATOM 18 C LIG 1 0.069 -3.838 0.273 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -0.675 -4.747 1.018 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 -1.564 -5.992 0.243 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 -0.693 -4.612 2.397 0.00 0.00 +0.130 A ATOM 22 N LIG 1 -0.019 -3.647 3.066 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 0.715 -2.791 2.313 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 1 25 ATOM 24 C LIG 1 -0.518 3.321 1.704 0.00 0.00 +0.021 C ATOM 25 C LIG 1 0.796 3.123 0.963 0.00 0.00 +0.088 C BRANCH 25 26 ATOM 26 C LIG 1 0.931 4.184 -0.119 0.00 0.00 +0.033 A ATOM 27 C LIG 1 0.146 4.172 -1.275 0.00 0.00 +0.130 A ATOM 28 F LIG 1 -0.778 3.218 -1.450 0.00 0.00 -0.205 F ATOM 29 C LIG 1 0.285 5.144 -2.266 0.00 0.00 +0.039 A ATOM 30 C LIG 1 1.226 6.160 -2.115 0.00 0.00 +0.006 A ATOM 31 C LIG 1 2.017 6.196 -0.969 0.00 0.00 +0.039 A ATOM 32 C LIG 1 1.865 5.216 0.012 0.00 0.00 +0.130 A ATOM 33 F LIG 1 2.631 5.292 1.110 0.00 0.00 -0.205 F ENDBRANCH 25 26 ENDBRANCH 1 25 BRANCH 2 34 ATOM 34 C LIG 1 -0.748 0.214 1.172 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 -1.900 0.465 0.173 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -3.235 0.650 0.908 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -3.748 -0.625 1.577 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -3.423 -1.905 0.793 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -4.517 -2.954 0.979 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -3.183 -1.611 -0.688 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -2.022 -0.633 -0.904 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 6