REMARK Name = BDB004803 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.218 0.144 -0.938 0.00 0.00 +0.119 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.289 0.375 -0.991 0.00 0.00 -0.024 A ATOM 3 C LIG 1 2.137 -0.416 -0.188 0.00 0.00 +0.028 A ATOM 4 C LIG 1 3.530 -0.246 -0.196 0.00 0.00 +0.034 A ATOM 5 C LIG 1 4.080 0.741 -1.010 0.00 0.00 +0.023 A ATOM 6 C LIG 1 3.257 1.537 -1.809 0.00 0.00 +0.002 A ATOM 7 C LIG 1 1.874 1.355 -1.801 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 4.289 -1.095 0.638 0.00 0.00 -0.281 N ATOM 9 H LIG 1 3.759 -1.782 1.157 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 5.667 -1.154 0.739 0.00 0.00 +0.248 C ATOM 11 O LIG 1 6.486 -0.519 0.086 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 6.183 -2.134 1.735 0.00 0.00 +0.040 A ATOM 13 C LIG 1 7.364 -2.825 1.437 0.00 0.00 +0.054 A ATOM 14 C LIG 1 7.872 -3.739 2.353 0.00 0.00 +0.159 A ATOM 15 F LIG 1 8.996 -4.407 2.060 0.00 0.00 -0.202 F ATOM 16 C LIG 1 7.223 -3.962 3.562 0.00 0.00 +0.158 A ATOM 17 F LIG 1 7.716 -4.844 4.441 0.00 0.00 -0.202 F ATOM 18 C LIG 1 6.058 -3.268 3.876 0.00 0.00 +0.042 A ATOM 19 C LIG 1 5.536 -2.346 2.964 0.00 0.00 +0.016 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 -0.814 0.790 0.252 0.00 0.00 -0.320 N ATOM 21 H LIG 1 -0.318 0.485 1.084 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -0.972 2.184 0.329 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -1.542 2.748 1.493 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -1.662 4.152 1.527 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -2.213 4.734 2.688 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -2.645 3.943 3.770 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -2.542 2.563 3.720 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -1.262 4.894 0.471 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -0.771 4.254 -0.594 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -1.997 1.971 2.590 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -0.621 2.937 -0.719 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -2.388 6.211 2.863 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -2.905 6.681 3.871 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -1.955 7.041 1.872 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -2.087 8.036 1.973 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -1.552 6.667 1.018 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 -0.998 0.372 -2.265 0.00 0.00 +0.137 C BRANCH 37 39 ATOM 38 C LIG 1 -3.424 0.767 -1.795 0.00 0.00 +0.135 C ATOM 39 N LIG 1 -2.379 -0.130 -2.255 0.00 0.00 -0.268 N ATOM 40 C LIG 1 -2.572 -1.502 -2.311 0.00 0.00 +0.403 C ATOM 41 O LIG 1 -1.662 -2.299 -2.503 0.00 0.00 -0.226 OA BRANCH 40 42 ATOM 42 O LIG 1 -3.869 -1.849 -2.114 0.00 0.00 -0.445 OA BRANCH 42 43 ATOM 43 C LIG 1 -4.286 -3.237 -2.131 0.00 0.00 +0.107 C ATOM 44 C LIG 1 -3.626 -4.030 -0.997 0.00 0.00 +0.055 C ATOM 45 C LIG 1 -5.801 -3.190 -1.877 0.00 0.00 +0.055 C ATOM 46 C LIG 1 -4.039 -3.878 -3.501 0.00 0.00 +0.055 C ENDBRANCH 42 43 ENDBRANCH 40 42 ENDBRANCH 37 39 ENDBRANCH 1 37 TORSDOF 10