REMARK Name = BDB024356 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.698 1.676 -0.821 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.510 3.185 -0.972 0.00 0.00 -0.021 A ATOM 3 C LIG 1 -0.832 3.715 -2.085 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -0.659 5.093 -2.219 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -1.171 5.944 -1.248 0.00 0.00 +0.123 A ATOM 6 F LIG 1 -1.006 7.267 -1.375 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.856 5.445 -0.146 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -2.030 4.066 -0.008 0.00 0.00 +0.008 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 9 N LIG 1 0.486 1.322 0.224 0.00 0.00 -0.269 N ATOM 10 H LIG 1 0.202 2.134 0.753 0.00 0.00 +0.156 HD ATOM 11 C LIG 1 -0.315 0.940 -0.849 0.00 0.00 +0.240 C ATOM 12 O LIG 1 -0.009 0.122 -1.712 0.00 0.00 -0.273 OA BRANCH 9 16 ATOM 13 C LIG 1 4.191 -0.285 1.286 0.00 0.00 +0.003 A ATOM 14 C LIG 1 3.380 -0.834 0.299 0.00 0.00 +0.121 A ATOM 15 N LIG 1 2.173 -0.338 -0.069 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 1.728 0.765 0.551 0.00 0.00 +0.125 A ATOM 17 C LIG 1 2.459 1.381 1.561 0.00 0.00 +0.044 A ATOM 18 C LIG 1 3.700 0.851 1.929 0.00 0.00 +0.013 A BRANCH 13 23 ATOM 19 C LIG 1 8.491 -2.765 1.109 0.00 0.00 +0.172 C ATOM 20 N LIG 1 7.376 -1.958 1.543 0.00 0.00 -0.274 N ATOM 21 N LIG 1 7.388 -1.422 2.776 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 6.233 -0.753 2.835 0.00 0.00 +0.143 A ATOM 23 C LIG 1 5.475 -0.857 1.645 0.00 0.00 +0.021 A ATOM 24 C LIG 1 6.255 -1.649 0.827 0.00 0.00 +0.116 A ENDBRANCH 13 23 ENDBRANCH 9 16 ENDBRANCH 1 11 BRANCH 1 25 ATOM 25 N LIG 1 -2.644 1.208 -1.855 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -3.459 1.818 -1.863 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.078 -0.187 -1.713 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -3.979 -0.451 -0.497 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -4.500 -1.869 -0.476 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -3.661 -2.926 -0.095 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.136 -4.239 -0.083 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.456 -4.511 -0.454 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -6.297 -3.463 -0.839 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -5.821 -2.149 -0.851 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.945 -5.859 -0.441 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -6.345 -6.948 -0.427 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9