REMARK Name = BDB057509 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 1.484 0.921 -0.626 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.117 1.865 -1.789 0.00 0.00 +0.326 C ATOM 3 O LIG 1 1.843 2.714 -2.287 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -0.159 1.702 -2.233 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -0.681 1.029 -1.752 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 2.901 0.504 -0.586 0.00 0.00 -0.331 N ATOM 7 H LIG 1 3.091 -0.243 -1.271 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 4.035 1.311 -0.489 0.00 0.00 +0.039 A ATOM 9 C LIG 1 5.320 0.733 -0.661 0.00 0.00 +0.043 A ATOM 10 C LIG 1 6.494 1.494 -0.530 0.00 0.00 +0.013 A ATOM 11 C LIG 1 6.416 2.835 -0.171 0.00 0.00 +0.001 A ATOM 12 C LIG 1 5.171 3.411 0.050 0.00 0.00 +0.002 A ATOM 13 C LIG 1 4.000 2.655 -0.100 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 5.440 -0.705 -1.036 0.00 0.00 +0.195 C ATOM 15 O LIG 1 4.673 -1.179 -1.874 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 6.461 -1.581 -0.406 0.00 0.00 +0.022 A ATOM 17 C LIG 1 6.867 -1.400 0.922 0.00 0.00 +0.012 A ATOM 18 C LIG 1 7.822 -2.253 1.480 0.00 0.00 +0.001 A ATOM 19 C LIG 1 8.362 -3.291 0.721 0.00 0.00 +0.000 A ATOM 20 C LIG 1 7.945 -3.486 -0.595 0.00 0.00 +0.001 A ATOM 21 C LIG 1 6.991 -2.637 -1.158 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 0.995 1.459 0.729 0.00 0.00 +0.068 C BRANCH 22 26 ATOM 23 C LIG 1 -3.222 0.664 1.293 0.00 0.00 +0.121 A ATOM 24 C LIG 1 -2.792 1.938 0.924 0.00 0.00 +0.046 A ATOM 25 C LIG 1 -1.428 2.200 0.758 0.00 0.00 +0.007 A ATOM 26 C LIG 1 -0.477 1.190 0.956 0.00 0.00 -0.045 A ATOM 27 C LIG 1 -0.913 -0.085 1.332 0.00 0.00 +0.007 A ATOM 28 C LIG 1 -2.275 -0.342 1.497 0.00 0.00 +0.046 A BRANCH 23 29 ATOM 29 O LIG 1 -4.516 0.272 1.483 0.00 0.00 -0.490 OA BRANCH 29 30 ATOM 30 C LIG 1 -5.534 1.265 1.316 0.00 0.00 +0.252 C BRANCH 30 31 ATOM 31 C LIG 1 -6.904 0.632 1.575 0.00 0.00 +0.188 C BRANCH 31 35 ATOM 32 C LIG 1 -7.506 -3.875 -0.009 0.00 0.00 +0.067 C ATOM 33 C LIG 1 -7.608 -2.390 -0.247 0.00 0.00 +0.059 A ATOM 34 N LIG 1 -7.250 -1.595 0.711 0.00 0.00 -0.173 NA ATOM 35 N LIG 1 -7.341 -0.239 0.485 0.00 0.00 -0.226 N ATOM 36 C LIG 1 -7.789 0.325 -0.701 0.00 0.00 +0.267 A ATOM 37 O LIG 1 -7.866 1.532 -0.919 0.00 0.00 -0.266 OA ATOM 38 C LIG 1 -8.192 -0.625 -1.758 0.00 0.00 +0.073 A ATOM 39 C LIG 1 -8.111 -1.940 -1.560 0.00 0.00 +0.030 A ENDBRANCH 31 35 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 12