REMARK Name = BDB057543 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.375 1.204 -0.102 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.751 2.535 0.329 0.00 0.00 +0.326 C ATOM 3 O LIG 1 0.013 3.241 -0.311 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -1.147 2.916 1.566 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -0.728 3.791 1.699 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -2.854 1.269 -0.197 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.268 1.149 0.741 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -3.578 2.257 -0.876 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -4.969 2.394 -0.638 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -5.747 3.340 -1.328 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -5.164 4.133 -2.310 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -3.813 3.979 -2.599 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -3.037 3.047 -1.898 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -5.630 1.558 0.398 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -5.102 1.446 1.503 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -6.907 0.853 0.115 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -7.774 0.589 1.184 0.00 0.00 +0.016 A ATOM 18 C LIG 1 -8.985 -0.089 0.975 0.00 0.00 -0.033 A ATOM 19 C LIG 1 -9.312 -0.497 -0.326 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -8.444 -0.250 -1.391 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.239 0.418 -1.172 0.00 0.00 +0.012 A BRANCH 18 22 ATOM 22 C LIG 1 -9.919 -0.372 2.134 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 -9.709 -1.629 2.867 0.00 0.00 -0.304 NA ATOM 24 C LIG 1 -8.431 -1.682 3.570 0.00 0.00 +0.104 C ATOM 25 C LIG 1 -9.912 -2.819 2.050 0.00 0.00 +0.104 C ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 26 ATOM 26 C LIG 1 -0.746 0.617 -1.377 0.00 0.00 +0.068 C BRANCH 26 30 ATOM 27 C LIG 1 2.945 -1.488 -0.546 0.00 0.00 +0.121 A ATOM 28 C LIG 1 2.973 -0.152 -0.944 0.00 0.00 +0.046 A ATOM 29 C LIG 1 1.781 0.527 -1.219 0.00 0.00 +0.007 A ATOM 30 C LIG 1 0.546 -0.122 -1.101 0.00 0.00 -0.045 A ATOM 31 C LIG 1 0.522 -1.462 -0.698 0.00 0.00 +0.007 A ATOM 32 C LIG 1 1.714 -2.136 -0.423 0.00 0.00 +0.046 A BRANCH 27 33 ATOM 33 O LIG 1 4.031 -2.264 -0.248 0.00 0.00 -0.492 OA BRANCH 33 34 ATOM 34 C LIG 1 5.319 -1.666 -0.411 0.00 0.00 +0.235 C BRANCH 34 35 ATOM 35 C LIG 1 6.374 -2.710 -0.054 0.00 0.00 +0.100 C BRANCH 35 38 ATOM 36 C LIG 1 8.733 -3.740 -2.219 0.00 0.00 +0.088 C ATOM 37 C LIG 1 8.694 -2.674 -1.204 0.00 0.00 +0.126 A ATOM 38 C LIG 1 7.753 -2.224 -0.303 0.00 0.00 +0.086 A ATOM 39 N LIG 1 8.272 -1.167 0.411 0.00 0.00 -0.214 NA ATOM 40 C LIG 1 9.492 -1.014 -0.069 0.00 0.00 +0.228 A ATOM 41 O LIG 1 9.813 -1.903 -1.063 0.00 0.00 -0.440 OA BRANCH 40 42 ATOM 42 C LIG 1 10.517 -0.044 0.307 0.00 0.00 +0.037 A ATOM 43 C LIG 1 11.773 -0.008 -0.319 0.00 0.00 +0.013 A ATOM 44 C LIG 1 12.735 0.933 0.062 0.00 0.00 +0.001 A ATOM 45 C LIG 1 12.453 1.850 1.072 0.00 0.00 +0.000 A ATOM 46 C LIG 1 11.211 1.828 1.704 0.00 0.00 +0.001 A ATOM 47 C LIG 1 10.251 0.887 1.323 0.00 0.00 +0.013 A ENDBRANCH 40 42 ENDBRANCH 35 38 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 15