REMARK Name = BDB057493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.784 3.907 -0.775 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -1.130 1.364 -3.062 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -0.691 2.609 -2.613 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -1.556 3.445 -1.898 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -2.869 3.045 -1.617 0.00 0.00 -0.045 A ATOM 6 C LIG 1 -3.319 1.821 -2.122 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -2.454 0.989 -2.836 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 -0.383 0.437 -3.732 0.00 0.00 -0.490 OA BRANCH 8 9 ATOM 9 C LIG 1 1.044 0.539 -3.672 0.00 0.00 +0.257 C BRANCH 9 10 ATOM 10 C LIG 1 1.609 0.135 -2.303 0.00 0.00 +0.200 C BRANCH 10 11 ATOM 11 O LIG 1 1.318 -1.227 -1.972 0.00 0.00 -0.376 OA BRANCH 11 12 ATOM 12 C LIG 1 2.232 -2.178 -2.512 0.00 0.00 +0.160 C BRANCH 12 13 ATOM 13 C LIG 1 3.504 -2.289 -1.671 0.00 0.00 +0.034 C BRANCH 13 14 ATOM 14 C LIG 1 3.195 -2.591 -0.203 0.00 0.00 +0.057 C BRANCH 14 18 ATOM 15 C LIG 1 6.952 -0.391 1.992 0.00 0.00 +0.065 C ATOM 16 C LIG 1 6.247 -1.671 1.653 0.00 0.00 +0.039 A ATOM 17 N LIG 1 5.103 -1.577 0.932 0.00 0.00 -0.257 NA ATOM 18 C LIG 1 4.462 -2.726 0.603 0.00 0.00 +0.042 A ATOM 19 C LIG 1 4.939 -3.981 0.967 0.00 0.00 +0.023 A ATOM 20 C LIG 1 6.114 -4.060 1.707 0.00 0.00 +0.003 A ATOM 21 C LIG 1 6.782 -2.890 2.054 0.00 0.00 +0.023 A ENDBRANCH 14 18 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 22 ATOM 22 CA LIG 1 -3.274 4.162 0.657 0.00 0.00 +0.184 C BRANCH 22 23 ATOM 23 C LIG 1 -4.190 5.196 1.335 0.00 0.00 +0.326 C ATOM 24 O LIG 1 -4.537 6.262 0.849 0.00 0.00 -0.249 OA BRANCH 23 25 ATOM 25 OXT LIG 1 -4.548 4.796 2.586 0.00 0.00 -0.479 OA ATOM 26 HXT LIG 1 -4.124 3.907 2.719 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 27 ATOM 27 N LIG 1 -3.301 2.920 1.514 0.00 0.00 -0.331 N ATOM 28 H LIG 1 -4.062 2.304 1.165 0.00 0.00 +0.147 HD BRANCH 27 29 ATOM 29 C LIG 1 -2.108 2.143 1.494 0.00 0.00 +0.039 A ATOM 30 C LIG 1 -2.129 0.746 1.251 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -0.921 0.030 1.187 0.00 0.00 +0.013 A ATOM 32 C LIG 1 0.293 0.661 1.454 0.00 0.00 +0.001 A ATOM 33 C LIG 1 0.313 2.010 1.782 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -0.876 2.743 1.807 0.00 0.00 +0.023 A BRANCH 30 35 ATOM 35 C LIG 1 -3.428 0.041 1.014 0.00 0.00 +0.195 C ATOM 36 O LIG 1 -4.423 0.677 0.659 0.00 0.00 -0.287 OA BRANCH 35 37 ATOM 37 C LIG 1 -3.579 -1.418 1.220 0.00 0.00 +0.022 A ATOM 38 C LIG 1 -3.109 -2.037 2.384 0.00 0.00 +0.012 A ATOM 39 C LIG 1 -3.302 -3.409 2.562 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -3.973 -4.155 1.589 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -4.457 -3.533 0.437 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -4.267 -2.163 0.254 0.00 0.00 +0.012 A ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 27 29 ENDBRANCH 22 27 ENDBRANCH 1 22 TORSDOF 16