REMARK Name = BDB019858 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.095 -0.589 1.584 0.00 0.00 +0.073 A ATOM 2 C LIG 1 -0.308 -1.751 0.933 0.00 0.00 +0.143 A ATOM 3 F LIG 1 0.586 -2.716 0.668 0.00 0.00 -0.204 F ATOM 4 C LIG 1 -1.636 -1.908 0.508 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -2.546 -0.860 0.755 0.00 0.00 +0.016 A ATOM 6 C LIG 1 -2.155 0.307 1.435 0.00 0.00 -0.029 A ATOM 7 C LIG 1 -0.824 0.428 1.856 0.00 0.00 +0.021 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 -2.066 -3.122 -0.206 0.00 0.00 -0.003 A ATOM 9 C LIG 1 -2.928 -4.086 0.374 0.00 0.00 +0.065 A ATOM 10 C LIG 1 -3.307 -5.212 -0.382 0.00 0.00 +0.051 A ATOM 11 C LIG 1 -2.832 -5.388 -1.676 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -3.205 -6.466 -2.375 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -1.977 -4.462 -2.250 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -1.596 -3.336 -1.520 0.00 0.00 +0.012 A BRANCH 9 15 ATOM 15 C LIG 1 -3.466 -3.938 1.779 0.00 0.00 +0.418 C ATOM 16 F LIG 1 -4.084 -5.062 2.241 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -4.401 -2.949 1.870 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -2.511 -3.642 2.701 0.00 0.00 -0.166 F ENDBRANCH 9 15 ENDBRANCH 4 8 BRANCH 1 21 ATOM 19 N LIG 1 2.233 0.602 1.484 0.00 0.00 -0.304 N ATOM 20 H LIG 1 3.193 0.562 1.795 0.00 0.00 +0.150 HD ATOM 21 C LIG 1 1.494 -0.431 2.002 0.00 0.00 +0.247 C ATOM 22 O LIG 1 1.968 -1.187 2.843 0.00 0.00 -0.270 OA BRANCH 19 23 ATOM 23 C LIG 1 1.986 1.319 0.242 0.00 0.00 +0.107 C BRANCH 23 30 ATOM 24 C LIG 1 6.079 -0.420 -2.196 0.00 0.00 +0.047 C ATOM 25 C LIG 1 4.592 -0.257 -2.107 0.00 0.00 -0.015 A ATOM 26 C LIG 1 3.751 -0.837 -3.057 0.00 0.00 +0.126 A ATOM 27 F LIG 1 4.273 -1.526 -4.082 0.00 0.00 -0.205 F ATOM 28 C LIG 1 2.369 -0.715 -2.970 0.00 0.00 +0.039 A ATOM 29 C LIG 1 1.801 -0.010 -1.909 0.00 0.00 +0.008 A ATOM 30 C LIG 1 2.617 0.575 -0.925 0.00 0.00 -0.027 A ATOM 31 C LIG 1 4.014 0.436 -1.034 0.00 0.00 +0.011 A ENDBRANCH 23 30 BRANCH 23 32 ATOM 32 C LIG 1 2.479 2.747 0.290 0.00 0.00 +0.014 C ATOM 33 C LIG 1 3.530 3.269 1.247 0.00 0.00 +0.006 C ATOM 34 C LIG 1 2.087 3.647 1.440 0.00 0.00 +0.006 C ENDBRANCH 23 32 ENDBRANCH 19 23 ENDBRANCH 1 21 BRANCH 6 35 ATOM 35 C LIG 1 -3.138 1.429 1.684 0.00 0.00 +0.144 C BRANCH 35 36 ATOM 36 N LIG 1 -2.794 2.562 0.860 0.00 0.00 -0.278 N ATOM 37 C LIG 1 -2.195 3.714 1.259 0.00 0.00 +0.278 C ATOM 38 N LIG 1 -1.679 4.044 2.378 0.00 0.00 -0.253 NA ATOM 39 H LIG 1 -1.764 3.280 3.046 0.00 0.00 +0.191 HD ATOM 40 O LIG 1 -2.186 4.619 0.240 0.00 0.00 -0.464 OA ATOM 41 C LIG 1 -2.691 3.971 -0.936 0.00 0.00 +0.251 C ATOM 42 C LIG 1 -3.412 2.733 -0.431 0.00 0.00 +0.151 C ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 8