REMARK Name = BDB057484 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.102 -1.348 3.198 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 0.878 -1.014 0.074 0.00 0.00 +0.121 A ATOM 3 C LIG 1 0.907 -2.088 0.962 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -0.055 -2.191 1.974 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -1.054 -1.218 2.114 0.00 0.00 -0.045 A ATOM 6 C LIG 1 -1.078 -0.144 1.219 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -0.119 -0.047 0.208 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 1.750 -0.796 -0.956 0.00 0.00 -0.492 OA BRANCH 8 9 ATOM 9 C LIG 1 2.790 -1.760 -1.148 0.00 0.00 +0.235 C BRANCH 9 10 ATOM 10 C LIG 1 3.647 -1.329 -2.337 0.00 0.00 +0.097 C BRANCH 10 15 ATOM 11 C LIG 1 6.645 0.428 -1.357 0.00 0.00 +0.159 A ATOM 12 S LIG 1 5.805 1.929 -1.437 0.00 0.00 -0.057 S ATOM 13 C LIG 1 4.377 1.119 -1.925 0.00 0.00 +0.011 A ATOM 14 C LIG 1 3.130 1.886 -2.187 0.00 0.00 +0.053 C ATOM 15 C LIG 1 4.614 -0.243 -1.979 0.00 0.00 +0.057 A ATOM 16 N LIG 1 5.909 -0.617 -1.650 0.00 0.00 -0.230 NA BRANCH 11 17 ATOM 17 N LIG 1 7.945 0.285 -0.994 0.00 0.00 -0.321 N ATOM 18 H LIG 1 8.265 -0.668 -1.163 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 8.955 1.258 -1.398 0.00 0.00 +0.131 C BRANCH 19 20 ATOM 20 C LIG 1 9.447 0.985 -2.828 0.00 0.00 +0.178 C BRANCH 20 22 ATOM 21 C LIG 1 11.344 -0.422 -2.488 0.00 0.00 +0.194 C ATOM 22 O LIG 1 10.009 -0.327 -2.966 0.00 0.00 -0.381 OA ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 10 15 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 CA LIG 1 -3.391 -2.029 2.699 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C LIG 1 -4.127 -2.794 3.809 0.00 0.00 +0.326 C ATOM 25 O LIG 1 -5.301 -2.729 4.136 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 OXT LIG 1 -3.330 -3.688 4.444 0.00 0.00 -0.479 OA ATOM 27 HXT LIG 1 -3.943 -4.128 5.071 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 28 ATOM 28 N LIG 1 -4.266 -1.117 1.922 0.00 0.00 -0.331 N ATOM 29 H LIG 1 -3.909 -1.006 0.964 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.794 0.096 2.376 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -5.331 1.023 1.450 0.00 0.00 +0.043 A ATOM 32 C LIG 1 -5.907 2.237 1.865 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -6.010 2.527 3.220 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -5.543 1.607 4.152 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -4.955 0.406 3.733 0.00 0.00 +0.023 A BRANCH 31 36 ATOM 36 C LIG 1 -5.248 0.750 -0.007 0.00 0.00 +0.195 C ATOM 37 O LIG 1 -4.169 0.411 -0.488 0.00 0.00 -0.287 OA BRANCH 36 38 ATOM 38 C LIG 1 -6.446 0.875 -0.879 0.00 0.00 +0.022 A ATOM 39 C LIG 1 -6.256 1.168 -2.235 0.00 0.00 +0.012 A ATOM 40 C LIG 1 -7.356 1.288 -3.086 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -8.645 1.106 -2.588 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -8.838 0.797 -1.242 0.00 0.00 +0.001 A ATOM 43 C LIG 1 -7.741 0.676 -0.386 0.00 0.00 +0.012 A ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 16