REMARK Name = BDB019660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.272 -0.578 0.372 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -0.263 0.772 0.196 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -1.455 1.381 0.027 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -2.661 0.681 0.016 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -2.655 -0.705 0.215 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.427 -1.347 0.387 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.384 2.834 -0.173 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -1.857 3.765 0.783 0.00 0.00 +0.067 A ATOM 9 C LIG 1 -1.759 5.144 0.510 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -1.186 5.589 -0.674 0.00 0.00 +0.124 A ATOM 11 F LIG 1 -1.099 6.904 -0.910 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -0.698 4.691 -1.610 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -0.794 3.323 -1.359 0.00 0.00 +0.013 A BRANCH 8 14 ATOM 14 C LIG 1 -2.467 3.316 2.090 0.00 0.00 +0.418 C ATOM 15 F LIG 1 -2.675 4.340 2.967 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -3.689 2.738 1.915 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -1.712 2.408 2.764 0.00 0.00 -0.166 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 2.127 -0.368 0.494 0.00 0.00 -0.302 N ATOM 19 H LIG 1 1.940 0.620 0.336 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 1.064 -1.232 0.554 0.00 0.00 +0.263 C ATOM 21 O LIG 1 1.165 -2.440 0.733 0.00 0.00 -0.269 OA BRANCH 18 22 ATOM 22 C LIG 1 3.507 -0.759 0.675 0.00 0.00 +0.125 C BRANCH 22 26 ATOM 23 C LIG 1 7.745 -0.088 -1.982 0.00 0.00 +0.044 C ATOM 24 C LIG 1 6.450 0.432 -1.437 0.00 0.00 -0.047 A ATOM 25 C LIG 1 5.611 -0.394 -0.684 0.00 0.00 +0.028 A ATOM 26 C LIG 1 4.424 0.127 -0.164 0.00 0.00 +0.062 A ATOM 27 N LIG 1 4.059 1.428 -0.347 0.00 0.00 -0.258 NA ATOM 28 C LIG 1 4.894 2.209 -1.065 0.00 0.00 +0.111 A ATOM 29 C LIG 1 6.083 1.766 -1.619 0.00 0.00 +0.023 A ENDBRANCH 22 26 BRANCH 22 30 ATOM 30 C LIG 1 3.866 -0.604 2.134 0.00 0.00 +0.015 C ATOM 31 C LIG 1 4.929 -1.468 2.771 0.00 0.00 +0.006 C ATOM 32 C LIG 1 3.486 -1.665 3.140 0.00 0.00 +0.006 C ENDBRANCH 22 30 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 33 ATOM 33 C LIG 1 -3.938 -1.495 0.196 0.00 0.00 +0.138 C BRANCH 33 34 ATOM 34 N LIG 1 -4.170 -1.996 -1.137 0.00 0.00 -0.329 N ATOM 35 H LIG 1 -3.897 -1.374 -1.891 0.00 0.00 +0.147 HD BRANCH 34 36 ATOM 36 C LIG 1 -5.246 -2.760 -1.480 0.00 0.00 +0.090 C ATOM 37 C LIG 1 -5.982 -3.619 -0.492 0.00 0.00 +0.073 C ATOM 38 C LIG 1 -6.688 -4.547 -1.450 0.00 0.00 +0.031 C ATOM 39 C LIG 1 -6.870 -3.674 -2.676 0.00 0.00 +0.143 C ATOM 40 N LIG 1 -5.708 -2.764 -2.694 0.00 0.00 -0.273 NA ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 9