REMARK Name = BDB042059 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.366 1.483 1.037 0.00 0.00 +0.122 C ENDROOT BRANCH 1 8 ATOM 2 N LIG 1 6.151 -0.206 0.274 0.00 0.00 -0.282 N ATOM 3 C LIG 1 5.858 0.928 -0.463 0.00 0.00 +0.248 C ATOM 4 O LIG 1 6.579 1.543 -1.222 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 4.454 1.258 -0.197 0.00 0.00 +0.044 A ATOM 6 C LIG 1 3.703 2.326 -0.649 0.00 0.00 +0.014 A ATOM 7 C LIG 1 2.368 2.391 -0.239 0.00 0.00 +0.008 A ATOM 8 C LIG 1 1.811 1.394 0.599 0.00 0.00 +0.002 A ATOM 9 C LIG 1 2.617 0.330 1.029 0.00 0.00 +0.133 A ATOM 10 F LIG 1 2.120 -0.627 1.823 0.00 0.00 -0.205 F ATOM 11 C LIG 1 3.933 0.267 0.628 0.00 0.00 +0.017 A ATOM 12 C LIG 1 4.967 -0.757 0.924 0.00 0.00 +0.147 C BRANCH 2 19 ATOM 13 O LIG 1 10.340 0.031 -2.577 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 9.477 -0.231 -1.742 0.00 0.00 +0.219 C ATOM 15 N LIG 1 8.572 -1.235 -1.969 0.00 0.00 -0.255 N ATOM 16 H LIG 1 8.630 -1.668 -2.880 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 7.516 -1.624 -1.187 0.00 0.00 +0.240 C ATOM 18 O LIG 1 6.688 -2.433 -1.609 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 7.389 -0.974 0.191 0.00 0.00 +0.163 C ATOM 20 C LIG 1 8.652 -0.243 0.640 0.00 0.00 +0.041 C ATOM 21 C LIG 1 9.349 0.543 -0.455 0.00 0.00 +0.098 C ENDBRANCH 2 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 N LIG 1 -0.587 1.538 -0.082 0.00 0.00 -0.297 NA ATOM 23 C LIG 1 -1.935 1.912 0.368 0.00 0.00 +0.100 C ATOM 24 C LIG 1 -2.777 0.839 1.100 0.00 0.00 +0.100 C ATOM 25 N LIG 1 -3.401 -0.087 0.136 0.00 0.00 -0.290 NA ATOM 26 C LIG 1 -2.514 -1.218 -0.190 0.00 0.00 +0.086 C ATOM 27 C LIG 1 -1.003 -0.969 -0.284 0.00 0.00 +0.031 C ATOM 28 C LIG 1 -0.597 0.348 -0.946 0.00 0.00 +0.086 C BRANCH 25 29 ATOM 29 C LIG 1 -4.748 -0.552 0.595 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 C LIG 1 -5.758 0.591 0.789 0.00 0.00 -0.026 A ATOM 31 C LIG 1 -6.655 0.553 1.871 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.590 1.573 2.059 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.647 2.641 1.167 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.773 2.691 0.084 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -5.838 1.672 -0.107 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -5.378 -1.629 -0.302 0.00 0.00 -0.026 A ATOM 37 C LIG 1 -5.563 -1.425 -1.681 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -6.148 -2.412 -2.477 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -6.561 -3.614 -1.907 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -6.390 -3.831 -0.541 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -5.805 -2.846 0.257 0.00 0.00 +0.005 A ENDBRANCH 29 36 ENDBRANCH 25 29 ENDBRANCH 1 22 TORSDOF 6