REMARK Name = BDB055493 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -0.714 -0.203 0.313 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.181 -0.101 0.161 0.00 0.00 -0.334 N ATOM 3 H LIG 1 -2.576 0.583 0.825 0.00 0.00 +0.147 HD BRANCH 2 9 ATOM 4 C LIG 1 -4.380 -1.101 0.266 0.00 0.00 +0.017 C ATOM 5 C LIG 1 -5.340 -2.255 0.115 0.00 0.00 +0.040 C ATOM 6 C LIG 1 -4.640 -3.592 -0.111 0.00 0.00 +0.005 C ATOM 7 C LIG 1 -3.543 -3.437 -1.153 0.00 0.00 +0.006 C ATOM 8 C LIG 1 -2.497 -2.423 -0.688 0.00 0.00 +0.051 C ATOM 9 C LIG 1 -3.064 -1.162 -0.049 0.00 0.00 +0.011 C BRANCH 4 11 ATOM 10 O LIG 1 -4.327 0.712 1.810 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -4.923 0.144 0.898 0.00 0.00 +0.191 C BRANCH 11 12 ATOM 12 C LIG 1 -6.215 0.685 0.412 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -7.088 1.265 1.340 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -8.306 1.796 0.915 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -8.648 1.762 -0.437 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.769 1.206 -1.368 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.550 0.672 -0.947 0.00 0.00 +0.012 A ENDBRANCH 11 12 ENDBRANCH 4 11 ENDBRANCH 2 9 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -0.358 -0.541 1.765 0.00 0.00 +0.326 C ATOM 19 O LIG 1 -0.275 0.237 2.705 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 -0.162 -1.863 1.970 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 -0.012 -1.923 2.936 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 -0.082 1.143 -0.086 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 1.421 1.073 -0.234 0.00 0.00 -0.045 A ATOM 24 C LIG 1 1.995 0.559 -1.402 0.00 0.00 +0.007 A ATOM 25 C LIG 1 3.384 0.477 -1.526 0.00 0.00 +0.046 A ATOM 26 C LIG 1 4.220 0.904 -0.492 0.00 0.00 +0.121 A ATOM 27 C LIG 1 3.652 1.415 0.675 0.00 0.00 +0.046 A ATOM 28 C LIG 1 2.261 1.498 0.802 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 5.556 0.767 -0.747 0.00 0.00 -0.487 OA BRANCH 29 30 ATOM 30 C LIG 1 6.459 1.207 0.266 0.00 0.00 +0.264 C BRANCH 30 31 ATOM 31 C LIG 1 7.875 1.021 -0.227 0.00 0.00 -0.010 A ATOM 32 C LIG 1 8.293 1.620 -1.424 0.00 0.00 +0.007 A ATOM 33 C LIG 1 9.606 1.469 -1.873 0.00 0.00 +0.000 A ATOM 34 C LIG 1 10.516 0.721 -1.129 0.00 0.00 +0.000 A ATOM 35 C LIG 1 10.114 0.124 0.064 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.800 0.274 0.515 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 11