REMARK Name = BDB016452 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.359 1.668 1.632 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -2.494 1.229 0.875 0.00 0.00 +0.039 A ATOM 3 C LIG 1 -3.803 1.533 1.279 0.00 0.00 +0.077 A ATOM 4 N LIG 1 -4.895 1.119 0.618 0.00 0.00 -0.227 NA ATOM 5 C LIG 1 -4.711 0.372 -0.484 0.00 0.00 +0.161 A ATOM 6 N LIG 1 -3.518 0.043 -0.992 0.00 0.00 -0.235 NA ATOM 7 C LIG 1 -3.982 2.306 2.414 0.00 0.00 +0.028 A ATOM 8 C LIG 1 -2.900 2.794 3.140 0.00 0.00 +0.004 A ATOM 9 C LIG 1 -2.443 0.483 -0.303 0.00 0.00 +0.125 A ATOM 10 C LIG 1 -1.600 2.488 2.741 0.00 0.00 +0.024 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.910 -0.090 -1.202 0.00 0.00 +0.031 A ATOM 12 C LIG 1 -6.039 -1.401 -1.722 0.00 0.00 +0.065 A ATOM 13 C LIG 1 -7.206 -1.751 -2.437 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -8.243 -0.839 -2.619 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -8.135 0.440 -2.090 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -6.983 0.808 -1.392 0.00 0.00 +0.012 A BRANCH 12 17 ATOM 17 C LIG 1 -4.965 -2.450 -1.530 0.00 0.00 +0.418 C ATOM 18 F LIG 1 -3.918 -2.319 -2.390 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -5.437 -3.717 -1.745 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -4.444 -2.490 -0.272 0.00 0.00 -0.166 F ENDBRANCH 12 17 ENDBRANCH 5 11 BRANCH 1 21 ATOM 21 N LIG 1 -0.056 1.393 1.185 0.00 0.00 -0.339 N ATOM 22 H LIG 1 0.011 0.506 0.692 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 1.083 1.589 2.076 0.00 0.00 +0.137 C BRANCH 23 27 ATOM 24 C LIG 1 4.625 -0.042 0.156 0.00 0.00 -0.018 A ATOM 25 C LIG 1 3.755 -0.865 0.890 0.00 0.00 +0.009 A ATOM 26 C LIG 1 2.618 -0.341 1.514 0.00 0.00 +0.006 A ATOM 27 C LIG 1 2.324 1.027 1.424 0.00 0.00 -0.030 A ATOM 28 C LIG 1 3.178 1.852 0.683 0.00 0.00 +0.006 A ATOM 29 C LIG 1 4.315 1.325 0.063 0.00 0.00 +0.009 A BRANCH 24 34 ATOM 30 C LIG 1 7.882 -1.874 -0.411 0.00 0.00 +0.144 A ATOM 31 N LIG 1 8.120 -1.654 -1.735 0.00 0.00 -0.251 NA ATOM 32 C LIG 1 7.218 -0.921 -2.419 0.00 0.00 +0.112 A ATOM 33 C LIG 1 6.075 -0.382 -1.853 0.00 0.00 +0.028 A ATOM 34 C LIG 1 5.823 -0.595 -0.495 0.00 0.00 -0.014 A ATOM 35 C LIG 1 6.752 -1.357 0.228 0.00 0.00 +0.040 A BRANCH 30 37 ATOM 36 F LIG 1 8.271 -3.784 0.990 0.00 0.00 -0.164 F ATOM 37 C LIG 1 8.866 -2.700 0.408 0.00 0.00 +0.434 C ATOM 38 F LIG 1 9.410 -1.990 1.441 0.00 0.00 -0.164 F ATOM 39 F LIG 1 9.922 -3.192 -0.299 0.00 0.00 -0.164 F ENDBRANCH 30 37 ENDBRANCH 24 34 ENDBRANCH 23 27 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 7