REMARK Name = BDB029336 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.719 0.554 -0.515 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.873 1.679 0.333 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.765 2.388 0.836 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.501 1.938 0.467 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.153 2.472 0.828 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.769 1.565 0.157 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.078 0.586 -0.565 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.474 -0.333 -1.257 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.355 0.832 -0.362 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.432 0.126 -0.868 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.181 1.715 0.246 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.065 0.809 -0.365 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -4.474 0.933 -0.304 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -4.969 2.029 0.428 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -4.120 2.941 1.051 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.737 2.783 0.959 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.476 -0.132 -1.013 0.00 0.00 +0.003 C ATOM 18 C LIG 1 -6.630 0.510 -1.880 0.00 0.00 +0.016 C ATOM 19 C LIG 1 -5.705 0.374 -3.115 0.00 0.00 +0.004 C ATOM 20 C LIG 1 -5.019 -0.796 -2.368 0.00 0.00 +0.016 C BRANCH 19 21 ATOM 21 C LIG 1 -6.403 0.053 -4.429 0.00 0.00 +0.122 C BRANCH 21 22 ATOM 22 C LIG 1 -5.433 -0.145 -5.513 0.00 0.00 +0.063 C ATOM 23 N LIG 1 -4.679 -0.286 -6.383 0.00 0.00 -0.197 NA ENDBRANCH 21 22 ENDBRANCH 19 21 BRANCH 17 24 ATOM 24 C LIG 1 -6.022 -1.122 0.036 0.00 0.00 +0.088 C BRANCH 24 25 ATOM 25 C LIG 1 -5.009 -2.112 0.496 0.00 0.00 +0.134 A ATOM 26 N LIG 1 -4.304 -2.066 1.672 0.00 0.00 -0.320 N ATOM 27 C LIG 1 -4.384 -1.089 2.723 0.00 0.00 +0.151 C ATOM 28 C LIG 1 -3.505 -3.168 1.677 0.00 0.00 +0.224 A ATOM 29 N LIG 1 -3.719 -3.871 0.591 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 -4.665 -3.208 -0.152 0.00 0.00 -0.135 NA ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 31 ATOM 31 C LIG 1 2.930 3.580 1.738 0.00 0.00 +0.418 C ATOM 32 F LIG 1 2.281 3.419 2.925 0.00 0.00 -0.166 F ATOM 33 F LIG 1 2.413 4.713 1.188 0.00 0.00 -0.166 F ATOM 34 F LIG 1 4.222 3.866 2.049 0.00 0.00 -0.166 F ENDBRANCH 3 31 BRANCH 1 35 ATOM 35 C LIG 1 4.941 -0.177 -1.033 0.00 0.00 +0.119 C BRANCH 35 43 ATOM 36 C LIG 1 8.343 -0.586 1.677 0.00 0.00 +0.015 C ATOM 37 C LIG 1 7.976 -1.679 0.669 0.00 0.00 +0.069 C ATOM 38 C LIG 1 7.272 -2.857 1.324 0.00 0.00 +0.254 C ATOM 39 F LIG 1 8.001 -3.314 2.374 0.00 0.00 -0.205 F ATOM 40 F LIG 1 7.225 -3.886 0.431 0.00 0.00 -0.205 F ATOM 41 C LIG 1 5.862 -2.549 1.776 0.00 0.00 +0.091 C ATOM 42 C LIG 1 5.063 -1.952 0.624 0.00 0.00 +0.090 C ATOM 43 N LIG 1 5.742 -0.774 0.053 0.00 0.00 -0.298 NA ATOM 44 C LIG 1 7.078 -1.140 -0.451 0.00 0.00 +0.093 C ENDBRANCH 35 43 ENDBRANCH 1 35 TORSDOF 9