REMARK Name = BDB010971 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.314 1.022 0.883 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -1.996 0.539 1.073 0.00 0.00 +0.035 A ATOM 3 C LIG 1 -1.105 0.878 0.042 0.00 0.00 +0.094 A ATOM 4 C LIG 1 -1.534 1.653 -1.088 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -0.440 1.798 -1.897 0.00 0.00 +0.123 A ATOM 6 N LIG 1 0.591 1.134 -1.267 0.00 0.00 -0.239 N ATOM 7 C LIG 1 -2.813 2.162 -1.331 0.00 0.00 +0.066 A ATOM 8 N LIG 1 0.195 0.580 -0.087 0.00 0.00 -0.166 NA ATOM 9 C LIG 1 -3.688 1.799 -0.272 0.00 0.00 +0.018 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 1.940 0.999 -1.707 0.00 0.00 +0.066 A ATOM 11 C LIG 1 2.847 0.255 -0.928 0.00 0.00 +0.032 A ATOM 12 C LIG 1 4.201 0.089 -1.292 0.00 0.00 -0.032 A ATOM 13 C LIG 1 4.601 0.716 -2.490 0.00 0.00 +0.005 A ATOM 14 C LIG 1 3.713 1.451 -3.278 0.00 0.00 +0.002 A ATOM 15 C LIG 1 2.382 1.594 -2.892 0.00 0.00 +0.028 A BRANCH 12 16 ATOM 16 C LIG 1 5.250 -0.743 -0.401 0.00 0.00 +0.060 C ATOM 17 C LIG 1 6.009 -1.894 -1.149 0.00 0.00 +0.051 C ATOM 18 C LIG 1 5.827 -2.800 0.082 0.00 0.00 +0.127 C ATOM 19 C LIG 1 4.708 -1.854 0.555 0.00 0.00 +0.051 C BRANCH 16 20 ATOM 20 C LIG 1 6.234 0.274 0.322 0.00 0.00 +0.144 A ATOM 21 N LIG 1 5.928 1.202 1.280 0.00 0.00 -0.320 N ATOM 22 C LIG 1 4.649 1.493 1.867 0.00 0.00 +0.151 C ATOM 23 C LIG 1 7.089 1.858 1.553 0.00 0.00 +0.224 A ATOM 24 N LIG 1 8.052 1.380 0.801 0.00 0.00 -0.138 NA ATOM 25 N LIG 1 7.511 0.388 0.018 0.00 0.00 -0.134 NA ENDBRANCH 16 20 BRANCH 18 26 ATOM 26 O LIG 1 6.941 -2.923 0.986 0.00 0.00 -0.319 OA BRANCH 26 27 ATOM 27 C LIG 1 7.889 -3.921 0.659 0.00 0.00 +0.483 C ATOM 28 F LIG 1 8.250 -3.785 -0.637 0.00 0.00 -0.178 F ATOM 29 F LIG 1 8.990 -3.719 1.416 0.00 0.00 -0.178 F ENDBRANCH 26 27 ENDBRANCH 18 26 ENDBRANCH 12 16 ENDBRANCH 6 10 BRANCH 7 30 ATOM 30 C LIG 1 -3.257 2.959 -2.515 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -4.547 3.388 -2.432 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -3.172 2.258 -3.680 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -2.507 4.081 -2.703 0.00 0.00 -0.166 F ENDBRANCH 7 30 BRANCH 1 34 ATOM 34 C LIG 1 -4.371 0.716 1.934 0.00 0.00 +0.119 C BRANCH 34 38 ATOM 35 C LIG 1 -8.659 0.573 0.937 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -7.913 -0.568 1.635 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -6.632 -0.066 2.335 0.00 0.00 +0.088 C ATOM 38 N LIG 1 -5.516 -0.025 1.387 0.00 0.00 -0.298 NA ATOM 39 C LIG 1 -5.138 -1.381 0.944 0.00 0.00 +0.085 C ATOM 40 C LIG 1 -6.301 -2.384 0.948 0.00 0.00 +0.016 C ATOM 41 C LIG 1 -7.621 -1.698 0.628 0.00 0.00 +0.006 C ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 8