REMARK Name = BDB006481 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.721 1.292 -3.691 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.262 1.285 -2.273 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.918 0.656 -1.169 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.145 0.886 -0.029 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.513 0.379 1.230 0.00 0.00 +0.027 A ATOM 6 C LIG 1 -1.693 -0.364 1.327 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.494 -0.593 0.208 0.00 0.00 +0.037 A ATOM 8 N LIG 1 0.950 1.636 -0.426 0.00 0.00 -0.339 N ATOM 9 C LIG 1 -2.107 -0.099 -1.047 0.00 0.00 +0.023 A ATOM 10 C LIG 1 0.883 1.895 -1.782 0.00 0.00 +0.020 A ATOM 11 C LIG 1 1.918 2.683 -2.512 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -3.741 -1.389 0.383 0.00 0.00 +0.245 C ATOM 13 N LIG 1 -4.770 -1.094 -0.488 0.00 0.00 -0.305 N ATOM 14 H LIG 1 -4.698 -0.227 -1.008 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 -3.810 -2.219 1.280 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 -6.114 -1.641 -0.369 0.00 0.00 +0.101 C ATOM 17 C LIG 1 -6.155 -3.174 -0.383 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 -6.875 -0.958 0.765 0.00 0.00 -0.016 A ATOM 19 C LIG 1 -7.496 0.305 0.581 0.00 0.00 +0.060 A ATOM 20 C LIG 1 -8.186 0.901 1.656 0.00 0.00 +0.013 A ATOM 21 C LIG 1 -8.247 0.281 2.902 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -7.612 -0.939 3.096 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -6.930 -1.549 2.042 0.00 0.00 +0.006 A BRANCH 19 24 ATOM 24 C LIG 1 -7.447 1.035 -0.744 0.00 0.00 +0.418 C ATOM 25 F LIG 1 -7.937 2.306 -0.692 0.00 0.00 -0.166 F ATOM 26 F LIG 1 -6.180 1.155 -1.240 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -8.166 0.404 -1.714 0.00 0.00 -0.166 F ENDBRANCH 19 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 28 ATOM 28 C LIG 1 1.994 2.123 0.479 0.00 0.00 +0.157 C BRANCH 28 29 ATOM 29 C LIG 1 3.291 1.358 0.353 0.00 0.00 -0.028 A ATOM 30 C LIG 1 3.331 -0.040 0.453 0.00 0.00 +0.006 A ATOM 31 C LIG 1 4.544 -0.728 0.359 0.00 0.00 +0.009 A ATOM 32 C LIG 1 5.752 -0.039 0.175 0.00 0.00 -0.017 A ATOM 33 C LIG 1 5.710 1.360 0.086 0.00 0.00 +0.009 A ATOM 34 C LIG 1 4.497 2.050 0.179 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 7.026 -0.766 0.062 0.00 0.00 -0.004 A ATOM 36 C LIG 1 8.066 -0.661 1.008 0.00 0.00 +0.067 A ATOM 37 C LIG 1 9.293 -1.311 0.807 0.00 0.00 +0.015 A ATOM 38 C LIG 1 9.490 -2.104 -0.321 0.00 0.00 +0.001 A ATOM 39 C LIG 1 8.467 -2.243 -1.254 0.00 0.00 +0.001 A ATOM 40 C LIG 1 7.251 -1.579 -1.067 0.00 0.00 +0.009 A BRANCH 36 41 ATOM 41 C LIG 1 7.940 0.136 2.242 0.00 0.00 +0.337 C ATOM 42 O LIG 1 8.739 0.964 2.638 0.00 0.00 -0.245 OA BRANCH 41 43 ATOM 43 O LIG 1 6.864 -0.223 2.961 0.00 0.00 -0.477 OA ATOM 44 H LIG 1 6.895 0.349 3.754 0.00 0.00 +0.295 HD ENDBRANCH 41 43 ENDBRANCH 36 41 ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 9