REMARK Name = BDB064364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.371 0.002 -0.197 0.00 0.00 +0.028 A ATOM 2 C LIG 1 0.960 -0.007 -0.352 0.00 0.00 +0.140 A ATOM 3 O LIG 1 0.487 -1.176 -0.883 0.00 0.00 -0.489 OA ATOM 4 C LIG 1 -0.905 -1.362 -1.086 0.00 0.00 +0.248 C ATOM 5 C LIG 1 -1.489 -0.238 -1.923 0.00 0.00 +0.149 C ATOM 6 N LIG 1 -2.013 0.806 -1.054 0.00 0.00 -0.285 N ATOM 7 C LIG 1 -1.251 1.333 -0.015 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -1.759 2.039 0.859 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.229 1.121 0.051 0.00 0.00 +0.079 A ATOM 10 C LIG 1 0.924 2.215 0.625 0.00 0.00 +0.022 A ATOM 11 C LIG 1 2.314 2.220 0.791 0.00 0.00 -0.026 A ATOM 12 C LIG 1 3.032 1.103 0.369 0.00 0.00 +0.017 A ENDROOT BRANCH 1 16 ATOM 13 N LIG 1 4.231 -2.578 -1.868 0.00 0.00 -0.271 N ATOM 14 N LIG 1 4.602 -2.925 -0.623 0.00 0.00 -0.167 NA ATOM 15 C LIG 1 3.957 -2.047 0.177 0.00 0.00 +0.173 A ATOM 16 C LIG 1 3.191 -1.130 -0.600 0.00 0.00 +0.035 A ATOM 17 C LIG 1 3.401 -1.498 -1.910 0.00 0.00 +0.117 A BRANCH 15 18 ATOM 18 C LIG 1 4.075 -2.063 1.677 0.00 0.00 +0.437 C ATOM 19 F LIG 1 4.771 -0.983 2.131 0.00 0.00 -0.164 F ATOM 20 F LIG 1 4.713 -3.163 2.162 0.00 0.00 -0.164 F ATOM 21 F LIG 1 2.860 -2.023 2.287 0.00 0.00 -0.164 F ENDBRANCH 15 18 BRANCH 13 23 ATOM 22 C LIG 1 6.101 -2.880 -3.442 0.00 0.00 +0.029 C ATOM 23 C LIG 1 4.722 -3.337 -3.003 0.00 0.00 +0.140 C ENDBRANCH 13 23 ENDBRANCH 1 16 BRANCH 6 24 ATOM 24 C LIG 1 -3.475 1.012 -0.994 0.00 0.00 +0.128 C BRANCH 24 25 ATOM 25 C LIG 1 -4.191 -0.149 -0.299 0.00 0.00 +0.065 A ATOM 26 N LIG 1 -4.320 -1.329 -0.966 0.00 0.00 -0.258 NA ATOM 27 C LIG 1 -4.931 -2.345 -0.319 0.00 0.00 +0.114 A ATOM 28 C LIG 1 -5.413 -2.263 0.977 0.00 0.00 +0.065 A ATOM 29 C LIG 1 -5.259 -1.062 1.656 0.00 0.00 +0.123 A ATOM 30 C LIG 1 -4.638 0.006 1.012 0.00 0.00 +0.070 A BRANCH 29 31 ATOM 31 O LIG 1 -5.666 -0.803 2.935 0.00 0.00 -0.495 OA ATOM 32 C LIG 1 -6.244 -1.881 3.660 0.00 0.00 +0.277 C ENDBRANCH 29 31 ENDBRANCH 24 25 BRANCH 24 33 ATOM 33 C LIG 1 -4.054 1.276 -2.373 0.00 0.00 +0.015 C ATOM 34 C LIG 1 -3.678 2.530 -3.128 0.00 0.00 +0.006 C ATOM 35 C LIG 1 -5.069 2.377 -2.584 0.00 0.00 +0.006 C ENDBRANCH 24 33 ENDBRANCH 6 24 BRANCH 11 36 ATOM 36 C LIG 1 3.011 3.389 1.439 0.00 0.00 +0.157 C BRANCH 36 37 ATOM 37 N LIG 1 3.216 3.162 2.858 0.00 0.00 -0.332 N ATOM 38 C LIG 1 2.345 3.498 3.855 0.00 0.00 +0.199 A ATOM 39 N LIG 1 2.840 3.214 5.039 0.00 0.00 -0.244 NA ATOM 40 C LIG 1 4.071 2.664 4.794 0.00 0.00 +0.130 A ATOM 41 C LIG 1 4.331 2.629 3.444 0.00 0.00 +0.107 A ENDBRANCH 36 37 ENDBRANCH 11 36 TORSDOF 9