REMARK Name = BDB065276 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.446 -0.533 0.324 0.00 0.00 -0.323 N ATOM 2 C LIG 1 -0.915 -0.766 0.274 0.00 0.00 +0.069 A ATOM 3 C LIG 1 -1.485 0.430 0.698 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -2.879 0.550 0.795 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -3.682 -0.545 0.446 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -3.089 -1.736 0.011 0.00 0.00 +0.011 A ATOM 7 N LIG 1 -0.524 1.364 0.960 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 -1.698 -1.871 -0.086 0.00 0.00 +0.028 A ATOM 9 C LIG 1 0.633 0.796 0.676 0.00 0.00 +0.132 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -5.121 -0.439 0.547 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -6.003 -0.611 -0.498 0.00 0.00 +0.142 A ATOM 12 C LIG 1 -5.867 -0.921 -1.934 0.00 0.00 +0.090 C ATOM 13 O LIG 1 -7.273 -0.432 -0.045 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 -7.248 -0.125 1.302 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 -5.956 -0.123 1.652 0.00 0.00 +0.088 A ATOM 16 C LIG 1 -5.567 0.176 3.050 0.00 0.00 +0.070 C ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 C LIG 1 1.971 1.487 0.742 0.00 0.00 +0.151 C ATOM 18 N LIG 1 1.895 2.920 0.474 0.00 0.00 -0.258 N ATOM 19 C LIG 1 2.700 3.633 1.385 0.00 0.00 +0.255 C ATOM 20 O LIG 1 2.924 4.834 1.422 0.00 0.00 -0.272 OA ATOM 21 C LIG 1 3.385 2.621 2.280 0.00 0.00 +0.254 C ATOM 22 F LIG 1 3.484 2.991 3.582 0.00 0.00 -0.236 F ATOM 23 C LIG 1 2.507 1.401 2.165 0.00 0.00 +0.077 C BRANCH 18 24 ATOM 24 C LIG 1 1.283 3.494 -0.680 0.00 0.00 +0.043 A ATOM 25 C LIG 1 0.936 2.705 -1.789 0.00 0.00 +0.065 A ATOM 26 C LIG 1 0.329 3.272 -2.910 0.00 0.00 +0.163 A ATOM 27 F LIG 1 0.023 2.485 -3.951 0.00 0.00 -0.202 F ATOM 28 C LIG 1 0.056 4.628 -2.959 0.00 0.00 +0.193 A ATOM 29 F LIG 1 -0.523 5.164 -4.043 0.00 0.00 -0.199 F ATOM 30 C LIG 1 0.393 5.421 -1.877 0.00 0.00 +0.163 A ATOM 31 F LIG 1 0.133 6.735 -1.902 0.00 0.00 -0.202 F ATOM 32 C LIG 1 1.002 4.868 -0.748 0.00 0.00 +0.065 A ENDBRANCH 18 24 ENDBRANCH 9 17 BRANCH 1 36 ATOM 33 C LIG 1 3.345 -3.538 -0.575 0.00 0.00 +0.118 C ATOM 34 C LIG 1 2.298 -3.235 -1.649 0.00 0.00 +0.033 C ATOM 35 C LIG 1 1.598 -1.889 -1.424 0.00 0.00 +0.027 C ATOM 36 C LIG 1 1.504 -1.506 0.062 0.00 0.00 +0.089 C ATOM 37 C LIG 1 1.450 -2.739 0.975 0.00 0.00 +0.027 C ATOM 38 C LIG 1 2.692 -3.629 0.815 0.00 0.00 +0.033 C BRANCH 33 40 ATOM 39 C LIG 1 5.600 -2.875 -0.193 0.00 0.00 +0.194 C ATOM 40 O LIG 1 4.296 -2.464 -0.592 0.00 0.00 -0.380 OA ENDBRANCH 33 40 ENDBRANCH 1 36 TORSDOF 5