REMARK Name = BDB042647 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.831 -2.070 0.318 0.00 0.00 +0.216 C ATOM 2 N LIG 1 -1.831 -2.027 -0.629 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -1.944 -1.089 -1.738 0.00 0.00 +0.094 C ATOM 4 C LIG 1 -2.505 0.264 -1.206 0.00 0.00 +0.127 C ATOM 5 N LIG 1 -3.785 0.084 -0.457 0.00 0.00 -0.325 N ATOM 6 C LIG 1 -3.861 -1.141 0.401 0.00 0.00 +0.127 C ATOM 7 C LIG 1 -2.977 -1.783 -2.637 0.00 0.00 +0.026 C ATOM 8 C LIG 1 -3.827 -2.624 -1.668 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.204 -2.369 -0.289 0.00 0.00 +0.094 C ATOM 10 O LIG 1 -1.015 -2.558 1.432 0.00 0.00 -0.276 OA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -4.411 1.249 0.010 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -5.080 1.345 1.241 0.00 0.00 +0.137 A ATOM 13 N LIG 1 -5.713 2.444 1.728 0.00 0.00 -0.226 NA ATOM 14 C LIG 1 -5.705 3.530 0.939 0.00 0.00 +0.213 A ATOM 15 F LIG 1 -6.322 4.632 1.387 0.00 0.00 -0.184 F ATOM 16 C LIG 1 -5.103 3.568 -0.301 0.00 0.00 +0.061 A ATOM 17 C LIG 1 -4.460 2.417 -0.764 0.00 0.00 +0.029 A ENDBRANCH 5 11 BRANCH 1 18 ATOM 18 C LIG 1 0.509 -1.503 -0.107 0.00 0.00 +0.102 C BRANCH 18 19 ATOM 19 C LIG 1 1.581 -1.729 0.960 0.00 0.00 +0.062 C BRANCH 19 27 ATOM 20 C LIG 1 4.569 2.455 2.396 0.00 0.00 +0.044 C ATOM 21 C LIG 1 5.258 1.691 1.298 0.00 0.00 -0.040 A ATOM 22 C LIG 1 4.701 0.530 0.719 0.00 0.00 -0.008 A ATOM 23 C LIG 1 5.409 -0.133 -0.304 0.00 0.00 +0.049 A ATOM 24 C LIG 1 4.830 -1.355 -0.915 0.00 0.00 +0.257 A ATOM 25 N LIG 1 3.609 -1.763 -0.430 0.00 0.00 -0.326 N ATOM 26 H LIG 1 3.248 -2.613 -0.849 0.00 0.00 +0.169 HD ATOM 27 C LIG 1 2.903 -1.124 0.560 0.00 0.00 +0.020 A ATOM 28 O LIG 1 5.405 -1.968 -1.808 0.00 0.00 -0.267 OA ATOM 29 C LIG 1 6.646 0.334 -0.754 0.00 0.00 +0.052 A ATOM 30 C LIG 1 7.179 1.474 -0.177 0.00 0.00 +0.124 A ATOM 31 F LIG 1 8.363 1.936 -0.598 0.00 0.00 -0.205 F ATOM 32 C LIG 1 3.402 -0.021 1.140 0.00 0.00 +0.030 A ATOM 33 C LIG 1 6.504 2.150 0.835 0.00 0.00 +0.042 A ENDBRANCH 19 27 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 4