REMARK Name = BDB064772 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.421 0.763 -0.906 0.00 0.00 +0.281 C ATOM 2 F LIG 1 -0.885 1.987 -0.481 0.00 0.00 -0.230 F ENDROOT BRANCH 1 6 ATOM 3 C LIG 1 3.204 -0.411 1.166 0.00 0.00 -0.041 A ATOM 4 C LIG 1 2.766 -1.122 0.042 0.00 0.00 +0.004 A ATOM 5 C LIG 1 1.599 -0.744 -0.627 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.845 0.352 -0.184 0.00 0.00 -0.005 A ATOM 7 C LIG 1 1.287 1.065 0.940 0.00 0.00 +0.007 A ATOM 8 C LIG 1 2.455 0.687 1.606 0.00 0.00 +0.004 A BRANCH 3 9 ATOM 9 C LIG 1 4.471 -0.814 1.890 0.00 0.00 +0.094 C BRANCH 9 11 ATOM 10 C LIG 1 6.401 0.110 0.519 0.00 0.00 +0.142 A ATOM 11 C LIG 1 5.624 0.146 1.687 0.00 0.00 +0.087 A ATOM 12 N LIG 1 5.836 1.047 2.690 0.00 0.00 -0.256 NA ATOM 13 C LIG 1 6.842 1.929 2.530 0.00 0.00 +0.111 A ATOM 14 C LIG 1 7.660 1.963 1.416 0.00 0.00 +0.023 A ATOM 15 C LIG 1 7.435 1.038 0.399 0.00 0.00 +0.049 A BRANCH 10 16 ATOM 16 O LIG 1 6.099 -0.851 -0.405 0.00 0.00 -0.490 OA BRANCH 16 18 ATOM 17 C LIG 1 6.073 -1.780 -2.596 0.00 0.00 +0.048 C ATOM 18 C LIG 1 6.696 -0.730 -1.694 0.00 0.00 +0.226 C ENDBRANCH 16 18 ENDBRANCH 10 16 ENDBRANCH 9 11 ENDBRANCH 3 9 ENDBRANCH 1 6 BRANCH 1 19 ATOM 19 C LIG 1 -1.527 -0.294 -0.767 0.00 0.00 +0.252 C ATOM 20 N LIG 1 -2.502 0.048 0.148 0.00 0.00 -0.305 N ATOM 21 H LIG 1 -2.477 0.992 0.528 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -1.523 -1.357 -1.386 0.00 0.00 -0.272 OA BRANCH 20 23 ATOM 23 C LIG 1 -3.710 -0.733 0.355 0.00 0.00 +0.117 C BRANCH 23 24 ATOM 24 C LIG 1 -4.818 -0.346 -0.619 0.00 0.00 -0.026 A ATOM 25 C LIG 1 -5.018 0.976 -1.043 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -6.062 1.298 -1.916 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -6.924 0.304 -2.390 0.00 0.00 -0.050 A ATOM 28 C LIG 1 -8.062 0.658 -3.300 0.00 0.00 +0.044 C ATOM 29 C LIG 1 -6.741 -1.012 -1.959 0.00 0.00 +0.004 A ATOM 30 C LIG 1 -5.698 -1.334 -1.087 0.00 0.00 +0.006 A ENDBRANCH 23 24 BRANCH 23 31 ATOM 31 C LIG 1 -4.194 -0.711 1.821 0.00 0.00 +0.119 C ATOM 32 C LIG 1 -3.141 -1.249 2.790 0.00 0.00 +0.021 C BRANCH 31 33 ATOM 33 C LIG 1 -4.652 0.647 2.293 0.00 0.00 +0.310 C ATOM 34 O LIG 1 -5.683 0.877 2.906 0.00 0.00 -0.251 OA BRANCH 33 35 ATOM 35 O LIG 1 -3.777 1.646 2.058 0.00 0.00 -0.480 OA ATOM 36 H LIG 1 -4.209 2.423 2.476 0.00 0.00 +0.295 HD ENDBRANCH 33 35 ENDBRANCH 31 33 ENDBRANCH 23 31 ENDBRANCH 20 23 ENDBRANCH 1 19 TORSDOF 11