REMARK Name = BDB035602 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.562 -0.819 0.296 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.822 -1.422 0.378 0.00 0.00 +0.251 C ATOM 3 O LIG 1 2.157 -2.591 0.328 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.801 -0.342 0.559 0.00 0.00 +0.043 A ATOM 5 C LIG 1 4.175 -0.434 0.688 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.902 0.753 0.856 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.220 1.993 0.872 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.818 2.069 0.740 0.00 0.00 +0.061 A ATOM 9 C LIG 1 2.125 0.872 0.582 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.660 0.631 0.413 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.130 -1.368 -0.145 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -1.879 -0.746 0.053 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -0.683 -1.480 0.114 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -0.772 -2.871 -0.012 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.005 -3.507 -0.193 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.178 -2.762 -0.258 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.418 -0.549 -0.212 0.00 0.00 +0.087 C BRANCH 17 20 ATOM 18 C LIG 1 -4.791 -0.735 -3.299 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -4.461 0.454 -2.560 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.290 0.578 -1.204 0.00 0.00 +0.140 A ATOM 21 N LIG 1 -3.971 1.833 -0.943 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -3.946 2.529 -2.126 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -4.241 1.688 -3.087 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -4.799 -0.056 1.207 0.00 0.00 +0.019 C BRANCH 24 25 ATOM 25 C LIG 1 -6.296 0.222 1.475 0.00 0.00 -0.006 C ATOM 26 C LIG 1 -7.141 -1.062 1.495 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -8.603 -0.736 1.783 0.00 0.00 +0.160 C ATOM 28 O LIG 1 -9.106 0.197 0.828 0.00 0.00 -0.380 OA ATOM 29 C LIG 1 -8.410 1.443 0.877 0.00 0.00 +0.160 C ATOM 30 C LIG 1 -6.938 1.244 0.530 0.00 0.00 +0.031 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 2.095 3.389 0.752 0.00 0.00 +0.418 C ATOM 32 F LIG 1 2.903 4.452 1.016 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.495 3.657 -0.439 0.00 0.00 -0.166 F ATOM 34 F LIG 1 1.107 3.427 1.687 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 6.409 0.702 0.980 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 7.014 0.522 -0.338 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 6.779 1.324 -0.921 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 8.458 0.230 -0.273 0.00 0.00 +0.017 C ATOM 39 C LIG 1 8.910 -0.121 -1.722 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.579 -1.598 -1.431 0.00 0.00 +0.004 C ATOM 41 C LIG 1 8.677 -1.270 0.073 0.00 0.00 +0.022 C ATOM 42 C LIG 1 9.297 1.279 0.426 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9