REMARK Name = BDB028060 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.868 -1.893 -0.790 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.765 -2.817 0.277 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.649 -2.832 1.138 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.647 -1.894 0.903 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.638 -1.664 1.632 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.236 -0.539 0.926 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.436 -0.129 -0.145 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.605 0.739 -0.983 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 0.754 -0.988 -0.144 0.00 0.00 +0.043 A ATOM 10 C LIG 1 1.838 -0.964 -1.000 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.480 0.029 1.319 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.986 1.187 0.711 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -4.225 1.758 1.071 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -4.962 1.123 2.078 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.478 -0.020 2.710 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.245 -0.558 2.336 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -4.750 3.002 0.360 0.00 0.00 +0.003 C ATOM 18 C LIG 1 -3.921 4.274 0.480 0.00 0.00 +0.013 C ATOM 19 C LIG 1 -5.231 4.176 1.199 0.00 0.00 +0.013 C BRANCH 17 20 ATOM 20 C LIG 1 -5.451 2.747 -0.973 0.00 0.00 +0.088 C BRANCH 20 21 ATOM 21 C LIG 1 -6.721 1.966 -0.874 0.00 0.00 +0.134 A ATOM 22 N LIG 1 -6.851 0.615 -1.056 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.846 -0.364 -1.371 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -8.170 0.332 -0.862 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -8.821 1.436 -0.587 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.911 2.465 -0.596 0.00 0.00 -0.135 NA ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 27 ATOM 27 C LIG 1 1.546 -3.805 2.282 0.00 0.00 +0.418 C ATOM 28 F LIG 1 1.630 -3.186 3.490 0.00 0.00 -0.166 F ATOM 29 F LIG 1 0.357 -4.469 2.288 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.512 -4.762 2.276 0.00 0.00 -0.166 F ENDBRANCH 3 27 BRANCH 1 31 ATOM 31 C LIG 1 4.077 -1.899 -1.706 0.00 0.00 +0.119 C BRANCH 31 39 ATOM 32 C LIG 1 7.144 0.961 0.952 0.00 0.00 +0.015 C ATOM 33 C LIG 1 6.619 0.572 -0.428 0.00 0.00 +0.069 C ATOM 34 C LIG 1 7.708 -0.063 -1.286 0.00 0.00 +0.254 C ATOM 35 F LIG 1 8.530 0.914 -1.752 0.00 0.00 -0.205 F ATOM 36 F LIG 1 8.491 -0.879 -0.526 0.00 0.00 -0.205 F ATOM 37 C LIG 1 7.184 -0.888 -2.451 0.00 0.00 +0.091 C ATOM 38 C LIG 1 5.757 -0.491 -2.790 0.00 0.00 +0.090 C ATOM 39 N LIG 1 4.832 -0.637 -1.657 0.00 0.00 -0.298 NA ATOM 40 C LIG 1 5.447 -0.404 -0.337 0.00 0.00 +0.093 C ENDBRANCH 31 39 ENDBRANCH 1 31 TORSDOF 7