REMARK Name = BDB063543 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.813 -1.246 1.278 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -2.059 -0.622 1.101 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -2.900 -0.885 -0.007 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -4.231 -0.220 -0.161 0.00 0.00 +0.085 A ATOM 5 N LIG 1 -4.728 0.448 0.958 0.00 0.00 -0.332 N ATOM 6 H LIG 1 -4.320 0.160 1.841 0.00 0.00 +0.147 HD ATOM 7 C LIG 1 -5.218 1.833 0.976 0.00 0.00 +0.146 C ATOM 8 C LIG 1 -6.037 2.232 -0.264 0.00 0.00 +0.300 C ATOM 9 F LIG 1 -6.905 3.228 0.087 0.00 0.00 -0.200 F ATOM 10 F LIG 1 -5.274 2.740 -1.264 0.00 0.00 -0.200 F ATOM 11 C LIG 1 -6.838 1.046 -0.781 0.00 0.00 +0.306 C ATOM 12 O LIG 1 -6.120 0.193 -1.665 0.00 0.00 -0.479 OA ATOM 13 C LIG 1 -4.894 -0.354 -1.337 0.00 0.00 +0.207 A ATOM 14 C LIG 1 -4.332 -1.220 -2.439 0.00 0.00 +0.295 A ATOM 15 N LIG 1 -3.185 -1.952 -2.181 0.00 0.00 -0.308 N ATOM 16 C LIG 1 -2.699 -2.847 -3.222 0.00 0.00 +0.152 C ATOM 17 O LIG 1 -4.925 -1.278 -3.519 0.00 0.00 -0.264 OA ATOM 18 C LIG 1 -2.436 -1.772 -0.989 0.00 0.00 +0.054 A ATOM 19 C LIG 1 -1.215 -2.437 -0.793 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -0.427 -2.189 0.333 0.00 0.00 +0.025 A ENDROOT BRANCH 7 21 ATOM 21 C LIG 1 -4.074 2.735 1.391 0.00 0.00 +0.015 C ATOM 22 C LIG 1 -3.902 4.155 0.908 0.00 0.00 +0.006 C ATOM 23 C LIG 1 -2.940 3.087 0.459 0.00 0.00 +0.006 C ENDBRANCH 7 21 BRANCH 1 24 ATOM 24 N LIG 1 -0.055 -0.955 2.429 0.00 0.00 -0.298 N ATOM 25 H LIG 1 -0.432 -0.191 2.980 0.00 0.00 +0.154 HD BRANCH 24 28 ATOM 26 C LIG 1 3.483 -1.441 1.797 0.00 0.00 +0.220 A ATOM 27 N LIG 1 2.159 -1.349 1.592 0.00 0.00 -0.198 NA ATOM 28 C LIG 1 1.349 -1.046 2.628 0.00 0.00 +0.147 A ATOM 29 C LIG 1 1.864 -0.846 3.901 0.00 0.00 +0.099 A ATOM 30 CL LIG 1 0.891 -0.443 5.261 0.00 0.00 -0.078 Cl ATOM 31 C LIG 1 3.226 -0.964 4.027 0.00 0.00 +0.137 A ATOM 32 N LIG 1 4.047 -1.254 2.999 0.00 0.00 -0.221 NA BRANCH 26 38 ATOM 33 C LIG 1 4.285 2.684 -1.933 0.00 0.00 +0.109 C ATOM 34 C LIG 1 5.196 2.092 -0.888 0.00 0.00 +0.213 C ATOM 35 N LIG 1 4.965 0.771 -0.523 0.00 0.00 -0.298 N ATOM 36 C LIG 1 5.747 0.243 0.614 0.00 0.00 +0.130 C ATOM 37 C LIG 1 5.687 -1.304 0.739 0.00 0.00 +0.094 C ATOM 38 N LIG 1 4.291 -1.755 0.730 0.00 0.00 -0.291 N ATOM 39 C LIG 1 3.817 -1.484 -0.630 0.00 0.00 +0.094 C ATOM 40 C LIG 1 4.971 -2.079 -1.462 0.00 0.00 +0.026 C ATOM 41 C LIG 1 6.210 -1.959 -0.555 0.00 0.00 +0.026 C ATOM 42 C LIG 1 3.722 0.048 -0.870 0.00 0.00 +0.130 C ATOM 43 O LIG 1 6.109 2.762 -0.404 0.00 0.00 -0.276 OA ENDBRANCH 26 38 ENDBRANCH 24 28 ENDBRANCH 1 24 TORSDOF 4