REMARK Name = BDB057521 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.867 -2.533 1.189 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -3.785 -3.693 1.619 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -3.380 -4.692 2.203 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -5.088 -3.568 1.284 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -5.323 -2.722 0.833 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.630 -1.326 0.780 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -4.441 -1.117 1.367 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -3.753 -0.970 -0.567 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -4.971 -0.489 -1.100 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -5.084 -0.155 -2.460 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -3.976 -0.249 -3.297 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -2.762 -0.688 -2.784 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -2.654 -1.045 -1.437 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -6.173 -0.425 -0.231 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -6.322 -1.305 0.617 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -7.174 0.664 -0.344 0.00 0.00 +0.022 A ATOM 17 C LIG 1 -8.512 0.368 -0.055 0.00 0.00 +0.012 A ATOM 18 C LIG 1 -9.481 1.367 -0.139 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -9.116 2.664 -0.495 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -7.780 2.967 -0.763 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -6.806 1.971 -0.681 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 -1.938 -2.170 2.367 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 1.597 -0.049 1.038 0.00 0.00 +0.121 A ATOM 24 C LIG 1 0.402 0.635 1.267 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -0.736 -0.042 1.709 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -0.698 -1.421 1.926 0.00 0.00 -0.045 A ATOM 27 C LIG 1 0.502 -2.106 1.701 0.00 0.00 +0.007 A ATOM 28 C LIG 1 1.644 -1.423 1.264 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 2.623 0.741 0.605 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 3.874 0.139 0.269 0.00 0.00 +0.229 C BRANCH 30 31 ATOM 31 C LIG 1 4.777 0.077 1.500 0.00 0.00 +0.046 C BRANCH 31 32 ATOM 32 C LIG 1 6.133 -0.576 1.224 0.00 0.00 +0.038 C BRANCH 32 36 ATOM 33 C LIG 1 8.499 1.519 -1.731 0.00 0.00 +0.120 A ATOM 34 C LIG 1 8.058 0.217 -1.967 0.00 0.00 +0.046 A ATOM 35 C LIG 1 7.299 -0.465 -1.013 0.00 0.00 +0.007 A ATOM 36 C LIG 1 6.968 0.150 0.199 0.00 0.00 -0.047 A ATOM 37 C LIG 1 7.424 1.452 0.438 0.00 0.00 +0.007 A ATOM 38 C LIG 1 8.181 2.133 -0.522 0.00 0.00 +0.046 A BRANCH 33 40 ATOM 39 C LIG 1 9.660 3.414 -2.572 0.00 0.00 +0.277 C ATOM 40 O LIG 1 9.225 2.074 -2.751 0.00 0.00 -0.495 OA ENDBRANCH 33 40 ENDBRANCH 32 36 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 14