REMARK Name = BDB026209 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.919 0.940 0.200 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.408 -0.331 -0.150 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.032 -0.520 -0.319 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.878 0.540 -0.144 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.343 1.792 0.201 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.157 2.843 0.393 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.025 1.998 0.370 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.257 4.064 -1.131 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.632 3.228 -0.006 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.658 2.852 1.004 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.061 3.994 1.828 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.219 1.718 1.863 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -6.104 0.508 1.534 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.712 1.361 1.752 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.319 1.088 0.352 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.938 1.992 -0.648 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.324 0.336 -0.316 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.159 1.238 -0.943 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.491 1.070 -1.115 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.051 -0.055 -0.643 0.00 0.00 +0.218 A ATOM 21 N LIG 1 4.326 -0.994 -0.015 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 2.998 -0.782 0.131 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 6.425 -0.265 -0.833 0.00 0.00 -0.299 N ATOM 24 C LIG 1 6.998 -1.236 0.102 0.00 0.00 +0.111 C ATOM 25 C LIG 1 8.439 -1.558 -0.286 0.00 0.00 +0.053 C ATOM 26 C LIG 1 9.295 -0.299 -0.453 0.00 0.00 +0.066 C ATOM 27 C LIG 1 9.588 0.376 0.891 0.00 0.00 +0.041 C ATOM 28 C LIG 1 8.618 0.658 -1.438 0.00 0.00 +0.053 C ATOM 29 C LIG 1 7.177 0.973 -1.047 0.00 0.00 +0.111 C BRANCH 26 30 ATOM 30 O LIG 1 10.569 -0.681 -0.989 0.00 0.00 -0.389 OA ATOM 31 H LIG 1 10.415 -1.118 -1.845 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 32 ATOM 32 N LIG 1 -2.372 -1.349 -0.304 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -3.316 -1.004 -0.131 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -2.174 -2.652 -0.687 0.00 0.00 +0.249 C ATOM 35 O LIG 1 -1.127 -3.195 -1.009 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -3.416 -3.455 -0.744 0.00 0.00 +0.049 A ATOM 37 C LIG 1 -4.150 -3.775 0.411 0.00 0.00 +0.070 A ATOM 38 C LIG 1 -5.328 -4.528 0.262 0.00 0.00 +0.051 A ATOM 39 C LIG 1 -5.733 -4.960 -0.999 0.00 0.00 +0.124 A ATOM 40 F LIG 1 -6.856 -5.679 -1.117 0.00 0.00 -0.205 F ATOM 41 C LIG 1 -4.987 -4.664 -2.133 0.00 0.00 +0.039 A ATOM 42 C LIG 1 -3.821 -3.911 -2.008 0.00 0.00 +0.016 A BRANCH 37 43 ATOM 43 C LIG 1 -3.703 -3.335 1.778 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -4.361 -3.979 2.784 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.933 -2.010 1.988 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -2.382 -3.541 2.017 0.00 0.00 -0.166 F ENDBRANCH 37 43 ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 7