REMARK Name = BDB015090 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.202 -1.067 -1.652 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -2.244 -0.702 -0.792 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -3.477 -0.254 -1.290 0.00 0.00 -0.014 A ATOM 4 C LIG 1 -3.653 -0.189 -2.678 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -2.620 -0.554 -3.541 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -1.397 -0.994 -3.030 0.00 0.00 +0.045 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -4.562 0.118 -0.373 0.00 0.00 -0.006 A ATOM 8 C LIG 1 -4.848 1.459 -0.036 0.00 0.00 +0.063 A ATOM 9 C LIG 1 -5.913 1.734 0.848 0.00 0.00 +0.025 A ATOM 10 C LIG 1 -6.695 0.707 1.402 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -6.391 -0.617 1.073 0.00 0.00 +0.013 A ATOM 12 C LIG 1 -5.343 -0.905 0.196 0.00 0.00 +0.009 A BRANCH 8 13 ATOM 13 C LIG 1 -4.039 2.606 -0.605 0.00 0.00 +0.418 C ATOM 14 F LIG 1 -2.703 2.499 -0.366 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -4.398 3.816 -0.083 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -4.184 2.742 -1.952 0.00 0.00 -0.166 F ENDBRANCH 8 13 BRANCH 10 17 ATOM 17 C LIG 1 -7.814 1.026 2.365 0.00 0.00 +0.417 C ATOM 18 F LIG 1 -7.373 1.149 3.647 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -8.446 2.196 2.072 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -8.788 0.074 2.392 0.00 0.00 -0.166 F ENDBRANCH 10 17 ENDBRANCH 3 7 BRANCH 1 21 ATOM 21 O LIG 1 -0.062 -1.478 -1.020 0.00 0.00 -0.489 OA BRANCH 21 22 ATOM 22 C LIG 1 1.067 -1.789 -1.841 0.00 0.00 +0.261 C BRANCH 22 23 ATOM 23 C LIG 1 2.275 -2.166 -0.969 0.00 0.00 +0.166 C BRANCH 23 24 ATOM 24 O LIG 1 2.067 -3.453 -0.367 0.00 0.00 -0.387 OA ATOM 25 H LIG 1 2.630 -3.444 0.434 0.00 0.00 +0.210 HD ENDBRANCH 23 24 BRANCH 23 26 ATOM 26 C LIG 1 2.553 -1.129 0.143 0.00 0.00 +0.119 C BRANCH 26 27 ATOM 27 N LIG 1 3.646 -1.580 1.041 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 4.985 -1.430 0.435 0.00 0.00 +0.120 C ATOM 29 C LIG 1 5.508 -0.010 0.376 0.00 0.00 -0.030 A ATOM 30 C LIG 1 5.020 0.977 1.253 0.00 0.00 -0.042 A ATOM 31 C LIG 1 5.545 2.275 1.201 0.00 0.00 +0.004 A ATOM 32 C LIG 1 6.564 2.587 0.303 0.00 0.00 +0.000 A ATOM 33 C LIG 1 7.063 1.609 -0.553 0.00 0.00 +0.000 A ATOM 34 C LIG 1 3.890 0.658 2.201 0.00 0.00 +0.051 C ATOM 35 C LIG 1 6.541 0.315 -0.515 0.00 0.00 +0.005 A ATOM 36 C LIG 1 3.627 -0.850 2.324 0.00 0.00 +0.089 C ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 9