REMARK Name = BDB009343 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.970 0.958 2.422 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.932 2.266 1.955 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.225 2.938 1.877 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.104 2.892 1.544 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.321 2.205 1.610 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.372 0.888 2.090 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.183 0.268 2.504 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 5.043 -2.333 -0.511 0.00 0.00 -0.226 OA ATOM 9 C LIG 1 4.603 -1.194 -0.622 0.00 0.00 +0.403 C ATOM 10 N LIG 1 3.784 -0.601 0.329 0.00 0.00 -0.266 N ATOM 11 C LIG 1 3.351 -1.437 1.453 0.00 0.00 +0.130 C ATOM 12 C LIG 1 2.388 -0.797 2.466 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.125 -0.256 1.941 0.00 0.00 -0.296 N ATOM 14 C LIG 1 0.261 0.307 2.881 0.00 0.00 +0.249 C ATOM 15 O LIG 1 0.457 0.267 4.093 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 0.892 -0.268 0.494 0.00 0.00 +0.109 C ATOM 17 C LIG 1 1.769 0.726 -0.267 0.00 0.00 +0.038 C ATOM 18 C LIG 1 3.228 0.742 0.179 0.00 0.00 +0.112 C BRANCH 9 19 ATOM 19 O LIG 1 4.843 -0.384 -1.684 0.00 0.00 -0.445 OA BRANCH 19 20 ATOM 20 C LIG 1 5.733 -0.903 -2.678 0.00 0.00 +0.269 C BRANCH 20 21 ATOM 21 C LIG 1 7.118 -0.356 -2.447 0.00 0.00 -0.010 A ATOM 22 C LIG 1 8.061 -1.097 -1.722 0.00 0.00 +0.007 A ATOM 23 C LIG 1 9.337 -0.582 -1.487 0.00 0.00 +0.000 A ATOM 24 C LIG 1 9.678 0.683 -1.964 0.00 0.00 +0.000 A ATOM 25 C LIG 1 8.745 1.432 -2.678 0.00 0.00 +0.000 A ATOM 26 C LIG 1 7.469 0.917 -2.916 0.00 0.00 +0.007 A ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 9 19 ENDBRANCH 1 14 BRANCH 6 27 ATOM 27 C LIG 1 -4.677 0.125 2.140 0.00 0.00 +0.092 C BRANCH 27 28 ATOM 28 C LIG 1 -4.896 -0.730 0.892 0.00 0.00 +0.069 A ATOM 29 C LIG 1 -5.954 -0.351 -0.097 0.00 0.00 -0.016 A ATOM 30 C LIG 1 -6.799 0.876 0.101 0.00 0.00 +0.037 C ATOM 31 C LIG 1 -7.617 1.263 -1.135 0.00 0.00 +0.005 C ATOM 32 C LIG 1 -8.239 0.039 -1.792 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -7.160 -0.960 -2.212 0.00 0.00 +0.041 C ATOM 34 C LIG 1 -6.111 -1.165 -1.155 0.00 0.00 +0.023 A ATOM 35 C LIG 1 -5.233 -2.351 -1.322 0.00 0.00 +0.268 A ATOM 36 O LIG 1 -5.329 -3.095 -2.292 0.00 0.00 -0.266 OA ATOM 37 N LIG 1 -4.314 -2.557 -0.331 0.00 0.00 -0.243 N ATOM 38 H LIG 1 -3.708 -3.365 -0.422 0.00 0.00 +0.192 HD ATOM 39 N LIG 1 -4.134 -1.777 0.767 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 6