REMARK Name = BDB040289 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.497 0.380 0.988 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -3.189 1.277 -0.063 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.859 1.543 -0.444 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -0.849 0.894 0.264 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.635 0.982 0.110 0.00 0.00 +0.150 C ATOM 6 N LIG 1 1.144 0.101 1.155 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.099 -0.495 1.870 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.105 -1.277 2.802 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.155 0.017 1.298 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.455 -0.260 1.678 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.536 -0.075 1.388 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.491 0.609 0.602 0.00 0.00 +0.027 A ATOM 13 C LIG 1 4.893 0.514 0.791 0.00 0.00 -0.039 A ATOM 14 C LIG 1 5.292 -0.324 1.850 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.375 -1.030 2.630 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.009 -0.903 2.401 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.955 1.379 -0.106 0.00 0.00 +0.013 C ATOM 18 C LIG 1 5.495 1.966 -1.488 0.00 0.00 +0.087 C ATOM 19 C LIG 1 6.144 3.312 -1.105 0.00 0.00 +0.251 C ATOM 20 F LIG 1 7.391 3.518 -1.587 0.00 0.00 -0.206 F ATOM 21 F LIG 1 5.423 4.415 -1.410 0.00 0.00 -0.206 F ATOM 22 C LIG 1 6.084 2.869 0.369 0.00 0.00 +0.087 C BRANCH 17 23 ATOM 23 C LIG 1 7.345 0.696 -0.204 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 7.335 -0.626 -0.893 0.00 0.00 +0.134 A ATOM 25 N LIG 1 8.317 -1.577 -0.763 0.00 0.00 -0.320 N ATOM 26 C LIG 1 9.502 -1.506 0.045 0.00 0.00 +0.151 C ATOM 27 C LIG 1 7.968 -2.605 -1.583 0.00 0.00 +0.224 A ATOM 28 N LIG 1 6.841 -2.315 -2.188 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 6.442 -1.072 -1.754 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 -1.534 2.495 -1.562 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -0.799 1.908 -2.548 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.798 3.559 -1.136 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -2.634 3.016 -2.171 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 -4.939 0.111 1.377 0.00 0.00 +0.119 C BRANCH 34 40 ATOM 35 C LIG 1 -6.729 -1.297 -1.019 0.00 0.00 +0.070 C ATOM 36 N LIG 1 -7.964 -1.309 -0.184 0.00 0.00 -0.300 NA ATOM 37 C LIG 1 -8.507 -0.007 0.189 0.00 0.00 +0.105 C ATOM 38 C LIG 1 -7.737 -2.133 1.019 0.00 0.00 +0.100 C ATOM 39 C LIG 1 -6.560 -1.642 1.902 0.00 0.00 +0.100 C ATOM 40 N LIG 1 -5.325 -1.287 1.176 0.00 0.00 -0.295 NA ATOM 41 C LIG 1 -5.415 -1.679 -0.241 0.00 0.00 +0.103 C BRANCH 35 43 ATOM 42 C LIG 1 -7.469 0.016 -3.090 0.00 0.00 +0.005 C ATOM 43 C LIG 1 -6.503 -0.058 -1.915 0.00 0.00 +0.017 C ENDBRANCH 35 43 ENDBRANCH 34 40 ENDBRANCH 1 34 TORSDOF 8