REMARK Name = BDB029291 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.149 0.044 -0.985 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -4.431 1.402 -0.704 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -3.436 2.285 -0.239 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -2.154 1.770 -0.069 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.908 2.447 0.402 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.093 1.390 0.363 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.458 0.184 -0.082 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.042 -0.913 -0.252 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.880 0.437 -0.350 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.845 -0.442 -0.805 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.446 1.619 0.739 0.00 0.00 +0.037 A ATOM 12 C LIG 1 2.411 0.600 0.688 0.00 0.00 +0.027 A ATOM 13 C LIG 1 3.766 0.787 1.055 0.00 0.00 -0.039 A ATOM 14 C LIG 1 4.122 2.078 1.478 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.191 3.111 1.538 0.00 0.00 +0.002 A ATOM 16 C LIG 1 1.864 2.882 1.174 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 4.835 -0.424 0.975 0.00 0.00 +0.005 C ATOM 18 C LIG 1 5.884 -0.518 2.149 0.00 0.00 +0.030 C ATOM 19 C LIG 1 5.646 -2.039 2.238 0.00 0.00 +0.093 C ATOM 20 C LIG 1 4.303 -1.811 1.507 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 6.613 -2.865 1.541 0.00 0.00 +0.066 C ATOM 22 N LIG 1 7.377 -3.504 0.946 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 5.391 -0.535 -0.470 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 6.554 0.357 -0.751 0.00 0.00 +0.134 A ATOM 25 N LIG 1 7.616 0.025 -1.554 0.00 0.00 -0.320 N ATOM 26 C LIG 1 7.819 -1.197 -2.285 0.00 0.00 +0.151 C ATOM 27 C LIG 1 8.463 1.089 -1.528 0.00 0.00 +0.224 A ATOM 28 N LIG 1 7.961 2.029 -0.764 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 6.760 1.571 -0.281 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 -3.737 3.728 0.065 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -3.451 4.053 1.355 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -5.040 4.069 -0.130 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -3.004 4.579 -0.704 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 -5.242 -0.881 -1.486 0.00 0.00 +0.119 C BRANCH 34 40 ATOM 35 C LIG 1 -7.949 -0.036 0.498 0.00 0.00 +0.039 C ATOM 36 C LIG 1 -7.502 -1.444 0.876 0.00 0.00 +0.129 C ATOM 37 O LIG 1 -8.286 -2.429 0.185 0.00 0.00 -0.374 OA ATOM 38 C LIG 1 -7.854 -2.645 -1.161 0.00 0.00 +0.175 C ATOM 39 C LIG 1 -6.369 -3.028 -1.224 0.00 0.00 +0.113 C ATOM 40 N LIG 1 -5.471 -2.032 -0.609 0.00 0.00 -0.294 NA ATOM 41 C LIG 1 -5.981 -1.704 0.737 0.00 0.00 +0.116 C ENDBRANCH 34 40 ENDBRANCH 1 34 TORSDOF 8