REMARK Name = BDB057547 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -0.520 -4.665 1.813 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.366 -5.861 2.269 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -2.573 -5.893 2.449 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -0.621 -6.959 2.528 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -1.287 -7.623 2.811 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -1.337 -3.829 0.895 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -2.110 -3.403 1.426 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -0.697 -2.865 0.095 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -1.251 -1.576 -0.092 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -0.603 -0.623 -0.897 0.00 0.00 +0.013 A ATOM 11 C LIG 1 0.562 -0.958 -1.581 0.00 0.00 +0.001 A ATOM 12 C LIG 1 1.086 -2.240 -1.458 0.00 0.00 +0.002 A ATOM 13 C LIG 1 0.459 -3.182 -0.635 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -2.495 -1.186 0.626 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -2.653 -1.543 1.792 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -3.556 -0.380 -0.032 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -3.794 -0.450 -1.408 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -4.808 0.328 -1.975 0.00 0.00 +0.046 A ATOM 19 C LIG 1 -5.601 1.164 -1.182 0.00 0.00 +0.121 A ATOM 20 C LIG 1 -5.378 1.213 0.195 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -4.360 0.441 0.768 0.00 0.00 +0.015 A BRANCH 19 22 ATOM 22 O LIG 1 -6.547 1.869 -1.871 0.00 0.00 -0.487 OA BRANCH 22 23 ATOM 23 C LIG 1 -7.452 2.668 -1.109 0.00 0.00 +0.264 C BRANCH 23 24 ATOM 24 C LIG 1 -8.435 3.344 -2.037 0.00 0.00 -0.010 A ATOM 25 C LIG 1 -9.022 2.644 -3.102 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -9.951 3.265 -3.937 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -10.313 4.590 -3.712 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -9.749 5.293 -2.648 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -8.819 4.674 -1.812 0.00 0.00 +0.007 A ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 30 ATOM 30 C LIG 1 -0.110 -3.909 3.094 0.00 0.00 +0.068 C BRANCH 30 34 ATOM 31 C LIG 1 3.194 -1.168 2.552 0.00 0.00 +0.121 A ATOM 32 C LIG 1 1.900 -0.690 2.763 0.00 0.00 +0.046 A ATOM 33 C LIG 1 0.834 -1.571 2.947 0.00 0.00 +0.007 A ATOM 34 C LIG 1 1.046 -2.951 2.919 0.00 0.00 -0.045 A ATOM 35 C LIG 1 2.348 -3.430 2.725 0.00 0.00 +0.007 A ATOM 36 C LIG 1 3.415 -2.543 2.544 0.00 0.00 +0.046 A BRANCH 31 37 ATOM 37 O LIG 1 4.132 -0.192 2.369 0.00 0.00 -0.490 OA BRANCH 37 38 ATOM 38 C LIG 1 5.475 -0.564 2.043 0.00 0.00 +0.248 C BRANCH 38 39 ATOM 39 C LIG 1 5.645 -0.924 0.557 0.00 0.00 +0.150 C BRANCH 39 41 ATOM 40 C LIG 1 4.161 0.729 -0.578 0.00 0.00 +0.134 C ATOM 41 N LIG 1 5.505 0.229 -0.339 0.00 0.00 -0.285 N BRANCH 41 42 ATOM 42 C LIG 1 6.548 1.089 -0.420 0.00 0.00 +0.291 A ATOM 43 O LIG 1 6.338 2.277 -1.071 0.00 0.00 -0.424 OA ATOM 44 C LIG 1 7.540 2.913 -1.004 0.00 0.00 +0.157 A ATOM 45 C LIG 1 8.413 2.088 -0.319 0.00 0.00 +0.111 A ATOM 46 C LIG 1 9.730 2.518 -0.113 0.00 0.00 +0.031 A ATOM 47 C LIG 1 10.102 3.773 -0.619 0.00 0.00 +0.002 A ATOM 48 C LIG 1 9.185 4.578 -1.309 0.00 0.00 +0.004 A ATOM 49 C LIG 1 7.865 4.163 -1.518 0.00 0.00 +0.048 A ATOM 50 N LIG 1 7.771 0.934 0.047 0.00 0.00 -0.195 NA ENDBRANCH 41 42 ENDBRANCH 39 41 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 31 37 ENDBRANCH 30 34 ENDBRANCH 1 30 TORSDOF 16