REMARK Name = BDB055495 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.013 -0.685 -0.960 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.819 -1.865 -1.917 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -1.504 -3.012 -1.632 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -2.046 -1.538 -3.211 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -1.931 -2.380 -3.695 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.431 -0.251 -0.882 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.475 0.760 -0.690 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.423 -0.908 -0.143 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -5.574 -0.200 0.287 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -6.605 -0.838 0.999 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -6.538 -2.205 1.244 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -5.448 -2.930 0.778 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -4.412 -2.290 0.086 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -5.680 1.264 0.041 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -4.692 1.975 0.222 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.949 1.877 -0.428 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -7.840 1.182 -1.255 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -9.019 1.797 -1.681 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -9.305 3.106 -1.293 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -8.411 3.808 -0.485 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.231 3.197 -0.057 0.00 0.00 +0.012 A ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 22 ATOM 22 C LIG 1 -1.392 -0.923 0.428 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 2.895 -0.320 0.414 0.00 0.00 +0.121 A ATOM 24 C LIG 1 2.359 -1.598 0.246 0.00 0.00 +0.046 A ATOM 25 C LIG 1 0.977 -1.801 0.257 0.00 0.00 +0.007 A ATOM 26 C LIG 1 0.108 -0.721 0.438 0.00 0.00 -0.045 A ATOM 27 C LIG 1 0.648 0.561 0.604 0.00 0.00 +0.007 A ATOM 28 C LIG 1 2.033 0.761 0.594 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 4.260 -0.266 0.381 0.00 0.00 -0.491 OA BRANCH 29 30 ATOM 30 C LIG 1 4.870 1.014 0.551 0.00 0.00 +0.235 C BRANCH 30 32 ATOM 31 C LIG 1 7.000 2.310 0.597 0.00 0.00 +0.014 C ATOM 32 C LIG 1 6.417 0.884 0.488 0.00 0.00 +0.002 C ATOM 33 C LIG 1 6.866 0.269 -0.868 0.00 0.00 +0.010 C ATOM 34 C LIG 1 7.125 -1.232 -0.789 0.00 0.00 +0.001 C ATOM 35 C LIG 1 8.223 -1.569 0.219 0.00 0.00 +0.000 C ATOM 36 C LIG 1 8.274 -0.611 1.409 0.00 0.00 +0.001 C ATOM 37 C LIG 1 6.916 0.026 1.683 0.00 0.00 +0.010 C ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 11