REMARK Name = BDB006448 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.182 -3.222 3.307 0.00 0.00 +0.046 C ATOM 2 C LIG 1 1.190 -2.589 1.958 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.210 -1.688 1.436 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.605 -1.332 0.145 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.147 -0.439 -0.639 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.327 0.089 -0.103 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -1.752 -0.267 1.178 0.00 0.00 +0.037 A ATOM 8 N LIG 1 1.794 -1.994 -0.112 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -0.983 -1.142 1.958 0.00 0.00 +0.023 A ATOM 10 C LIG 1 2.153 -2.767 0.976 0.00 0.00 +0.020 A ATOM 11 C LIG 1 3.391 -3.599 1.011 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.005 0.279 1.768 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.013 0.585 0.876 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -3.941 0.206 -0.059 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.117 0.402 2.982 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -5.329 0.999 1.337 0.00 0.00 +0.101 C ATOM 17 C LIG 1 -5.314 2.424 1.906 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.329 0.856 0.189 0.00 0.00 -0.015 A ATOM 19 C LIG 1 -7.322 -0.153 0.181 0.00 0.00 +0.060 A ATOM 20 C LIG 1 -8.197 -0.244 -0.920 0.00 0.00 +0.013 A ATOM 21 C LIG 1 -8.096 0.633 -2.001 0.00 0.00 +0.013 A ATOM 22 C LIG 1 -7.117 1.630 -2.012 0.00 0.00 +0.055 A ATOM 23 C LIG 1 -6.237 1.724 -0.921 0.00 0.00 +0.018 A BRANCH 19 24 ATOM 24 C LIG 1 -7.476 -1.145 1.318 0.00 0.00 +0.418 C ATOM 25 F LIG 1 -6.351 -1.883 1.521 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -8.476 -2.050 1.117 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -7.762 -0.540 2.502 0.00 0.00 -0.166 F ENDBRANCH 19 24 BRANCH 22 28 ATOM 28 C LIG 1 -6.974 2.569 -3.186 0.00 0.00 +0.417 C ATOM 29 F LIG 1 -6.733 3.854 -2.806 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -8.078 2.615 -3.982 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -5.939 2.219 -3.998 0.00 0.00 -0.166 F ENDBRANCH 22 28 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 32 ATOM 32 C LIG 1 2.529 -1.923 -1.377 0.00 0.00 +0.157 C BRANCH 32 33 ATOM 33 C LIG 1 3.775 -1.073 -1.295 0.00 0.00 -0.028 A ATOM 34 C LIG 1 4.988 -1.563 -1.799 0.00 0.00 +0.006 A ATOM 35 C LIG 1 6.147 -0.781 -1.758 0.00 0.00 +0.009 A ATOM 36 C LIG 1 6.130 0.514 -1.222 0.00 0.00 -0.018 A ATOM 37 C LIG 1 4.910 1.004 -0.731 0.00 0.00 +0.009 A ATOM 38 C LIG 1 3.748 0.226 -0.772 0.00 0.00 +0.006 A BRANCH 36 39 ATOM 39 C LIG 1 7.351 1.335 -1.175 0.00 0.00 -0.018 A ATOM 40 C LIG 1 8.104 1.579 -2.336 0.00 0.00 +0.008 A ATOM 41 C LIG 1 9.263 2.359 -2.292 0.00 0.00 +0.001 A ATOM 42 C LIG 1 9.689 2.908 -1.085 0.00 0.00 +0.000 A ATOM 43 C LIG 1 8.958 2.678 0.077 0.00 0.00 +0.001 A ATOM 44 C LIG 1 7.798 1.898 0.031 0.00 0.00 +0.008 A ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 8 32 TORSDOF 8