REMARK Name = BDB025764 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.455 -0.190 -0.445 0.00 0.00 +0.015 A ATOM 2 C LIG 1 0.993 -1.469 -0.780 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.857 -2.443 -1.105 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.366 -1.784 -0.773 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.314 -0.818 -0.427 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.858 0.483 -0.093 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.509 0.785 -0.101 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.699 -1.091 -0.360 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.139 -1.542 0.984 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.888 -2.903 0.994 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -2.918 -4.089 0.901 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.943 -3.076 -0.039 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.275 -2.922 0.551 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.767 -2.172 -1.207 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.377 -2.820 -2.455 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.281 -1.827 -1.497 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 N LIG 1 5.736 0.469 -0.246 0.00 0.00 -0.298 NA ATOM 18 C LIG 1 4.877 1.386 0.520 0.00 0.00 +0.089 C ATOM 19 C LIG 1 3.497 0.763 0.793 0.00 0.00 +0.051 C ATOM 20 C LIG 1 2.896 0.133 -0.440 0.00 0.00 -0.039 C ATOM 21 C LIG 1 3.665 -0.097 -1.519 0.00 0.00 -0.007 C ATOM 22 C LIG 1 5.140 0.196 -1.564 0.00 0.00 +0.112 C BRANCH 17 23 ATOM 23 C LIG 1 7.100 1.012 -0.359 0.00 0.00 +0.087 C BRANCH 23 25 ATOM 24 C LIG 1 9.507 0.708 -1.026 0.00 0.00 +0.008 C ATOM 25 C LIG 1 8.134 0.033 -0.958 0.00 0.00 -0.003 C ATOM 26 C LIG 1 8.233 -1.262 -0.148 0.00 0.00 +0.008 C ENDBRANCH 23 25 ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 6 27 ATOM 27 N LIG 1 -1.865 1.424 0.211 0.00 0.00 -0.280 N ATOM 28 H LIG 1 -2.797 1.025 0.118 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -1.723 2.740 0.567 0.00 0.00 +0.250 C ATOM 30 O LIG 1 -0.692 3.384 0.698 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -3.038 3.402 0.785 0.00 0.00 +0.065 A ATOM 32 C LIG 1 -3.795 3.284 2.025 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -4.979 3.919 2.133 0.00 0.00 +0.083 A ATOM 34 C LIG 1 -5.509 4.729 1.007 0.00 0.00 +0.249 A ATOM 35 O LIG 1 -6.590 5.298 1.090 0.00 0.00 -0.268 OA ATOM 36 N LIG 1 -4.715 4.788 -0.111 0.00 0.00 -0.328 N ATOM 37 H LIG 1 -5.069 5.355 -0.875 0.00 0.00 +0.168 HD ATOM 38 C LIG 1 -3.506 4.148 -0.227 0.00 0.00 +0.099 A BRANCH 32 39 ATOM 39 C LIG 1 -3.219 2.473 3.143 0.00 0.00 +0.418 C ATOM 40 F LIG 1 -3.990 2.521 4.262 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -3.126 1.160 2.808 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -1.983 2.886 3.508 0.00 0.00 -0.166 F ENDBRANCH 32 39 ENDBRANCH 29 31 ENDBRANCH 6 27 TORSDOF 7