REMARK Name = BDB057475 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.349 -1.109 0.723 0.00 0.00 +0.121 A ATOM 2 C LIG 1 1.090 0.255 0.866 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.186 0.769 0.625 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.227 -0.082 0.238 0.00 0.00 -0.045 A ATOM 5 C LIG 1 -0.966 -1.451 0.100 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.315 -1.962 0.342 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 2.638 -1.476 0.994 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 2.998 -2.834 0.737 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 4.489 -3.029 1.020 0.00 0.00 +0.097 C BRANCH 9 12 ATOM 10 C LIG 1 5.054 -4.001 -2.042 0.00 0.00 +0.053 C ATOM 11 C LIG 1 5.605 -2.833 -1.305 0.00 0.00 +0.011 A ATOM 12 C LIG 1 5.376 -2.402 -0.012 0.00 0.00 +0.057 A ATOM 13 N LIG 1 6.088 -1.269 0.348 0.00 0.00 -0.229 NA ATOM 14 C LIG 1 6.815 -0.804 -0.646 0.00 0.00 +0.161 A ATOM 15 S LIG 1 6.692 -1.764 -2.081 0.00 0.00 -0.057 S BRANCH 14 16 ATOM 16 N LIG 1 7.587 0.314 -0.543 0.00 0.00 -0.307 N ATOM 17 C LIG 1 8.352 0.860 -1.665 0.00 0.00 +0.122 C ATOM 18 C LIG 1 9.385 1.895 -1.163 0.00 0.00 +0.103 C ATOM 19 N LIG 1 8.788 3.051 -0.462 0.00 0.00 -0.302 NA ATOM 20 C LIG 1 9.764 3.665 0.436 0.00 0.00 +0.105 C ATOM 21 C LIG 1 7.550 2.669 0.253 0.00 0.00 +0.103 C ATOM 22 C LIG 1 7.429 1.176 0.635 0.00 0.00 +0.122 C ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 23 ATOM 23 C LIG 1 -2.619 0.459 -0.004 0.00 0.00 +0.068 C BRANCH 23 24 ATOM 24 CA LIG 1 -3.521 0.351 1.239 0.00 0.00 +0.184 C BRANCH 24 25 ATOM 25 C LIG 1 -3.258 1.451 2.272 0.00 0.00 +0.326 C ATOM 26 O LIG 1 -2.646 2.496 2.108 0.00 0.00 -0.249 OA BRANCH 25 27 ATOM 27 OXT LIG 1 -3.800 1.178 3.482 0.00 0.00 -0.479 OA ATOM 28 HXT LIG 1 -3.596 1.969 4.020 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 24 25 BRANCH 24 29 ATOM 29 N LIG 1 -4.959 0.239 0.889 0.00 0.00 -0.331 N ATOM 30 H LIG 1 -5.185 -0.734 0.641 0.00 0.00 +0.147 HD BRANCH 29 31 ATOM 31 C LIG 1 -5.639 1.110 0.029 0.00 0.00 +0.039 A ATOM 32 C LIG 1 -6.827 0.684 -0.617 0.00 0.00 +0.043 A ATOM 33 C LIG 1 -7.556 1.544 -1.457 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -7.148 2.862 -1.624 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -6.020 3.319 -0.952 0.00 0.00 +0.002 A ATOM 36 C LIG 1 -5.284 2.456 -0.130 0.00 0.00 +0.023 A BRANCH 32 37 ATOM 37 C LIG 1 -7.294 -0.720 -0.461 0.00 0.00 +0.195 C ATOM 38 O LIG 1 -6.473 -1.635 -0.522 0.00 0.00 -0.287 OA BRANCH 37 39 ATOM 39 C LIG 1 -8.726 -1.034 -0.221 0.00 0.00 +0.022 A ATOM 40 C LIG 1 -9.562 -0.161 0.487 0.00 0.00 +0.012 A ATOM 41 C LIG 1 -10.900 -0.497 0.701 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -11.403 -1.706 0.219 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -10.568 -2.587 -0.470 0.00 0.00 +0.001 A ATOM 44 C LIG 1 -9.230 -2.255 -0.685 0.00 0.00 +0.012 A ENDBRANCH 37 39 ENDBRANCH 32 37 ENDBRANCH 29 31 ENDBRANCH 24 29 ENDBRANCH 23 24 ENDBRANCH 4 23 TORSDOF 13