REMARK Name = BDB025618 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.070 1.073 0.044 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.148 -0.322 0.133 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.447 -0.840 0.126 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.566 0.007 0.020 0.00 0.00 +0.019 A ATOM 5 C LIG 1 2.326 1.386 -0.077 0.00 0.00 +0.133 A ATOM 6 F LIG 1 3.351 2.244 -0.199 0.00 0.00 -0.205 F ATOM 7 C LIG 1 1.037 1.917 -0.068 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.934 -0.547 0.010 0.00 0.00 -0.011 A ATOM 9 C LIG 1 4.938 -0.016 0.842 0.00 0.00 +0.058 A ATOM 10 C LIG 1 6.200 -0.574 0.800 0.00 0.00 +0.167 A ATOM 11 O LIG 1 7.269 -0.175 1.542 0.00 0.00 -0.453 OA ATOM 12 C LIG 1 8.277 -1.098 1.081 0.00 0.00 +0.466 C ATOM 13 O LIG 1 7.796 -2.026 0.087 0.00 0.00 -0.453 OA ATOM 14 C LIG 1 6.501 -1.628 -0.026 0.00 0.00 +0.166 A ATOM 15 C LIG 1 5.557 -2.184 -0.858 0.00 0.00 +0.050 A ATOM 16 C LIG 1 4.268 -1.637 -0.836 0.00 0.00 +0.012 A ENDBRANCH 4 8 BRANCH 1 21 ATOM 17 C LIG 1 -3.034 5.406 -0.186 0.00 0.00 +0.105 C ATOM 18 N LIG 1 -3.140 3.964 -0.391 0.00 0.00 -0.302 NA ATOM 19 C LIG 1 -2.131 3.501 -1.370 0.00 0.00 +0.103 C ATOM 20 C LIG 1 -1.863 1.981 -1.304 0.00 0.00 +0.120 C ATOM 21 N LIG 1 -1.404 1.549 0.044 0.00 0.00 -0.326 N ATOM 22 C LIG 1 -1.694 2.519 1.128 0.00 0.00 +0.120 C ATOM 23 C LIG 1 -3.052 3.216 0.882 0.00 0.00 +0.103 C ENDBRANCH 1 21 BRANCH 2 24 ATOM 24 N LIG 1 -1.018 -1.110 0.223 0.00 0.00 -0.280 N ATOM 25 H LIG 1 -1.861 -0.536 0.209 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 -1.119 -2.474 0.319 0.00 0.00 +0.250 C ATOM 27 O LIG 1 -0.213 -3.293 0.383 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -2.535 -2.931 0.387 0.00 0.00 +0.065 A ATOM 29 C LIG 1 -3.448 -2.908 -0.750 0.00 0.00 +0.073 A ATOM 30 C LIG 1 -4.711 -3.350 -0.587 0.00 0.00 +0.083 A ATOM 31 C LIG 1 -5.173 -3.856 0.731 0.00 0.00 +0.249 A ATOM 32 O LIG 1 -6.322 -4.246 0.892 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 -4.234 -3.853 1.732 0.00 0.00 -0.328 N ATOM 34 H LIG 1 -4.543 -4.215 2.628 0.00 0.00 +0.168 HD ATOM 35 C LIG 1 -2.945 -3.410 1.573 0.00 0.00 +0.099 A BRANCH 29 36 ATOM 36 C LIG 1 -2.941 -2.426 -2.074 0.00 0.00 +0.418 C ATOM 37 F LIG 1 -2.686 -1.094 -2.053 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -1.802 -3.051 -2.456 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -3.842 -2.624 -3.072 0.00 0.00 -0.166 F ENDBRANCH 29 36 ENDBRANCH 26 28 ENDBRANCH 2 24 TORSDOF 5