REMARK Name = BDB057541 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.613 0.359 0.755 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -0.203 -0.492 0.014 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.299 -1.119 0.616 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.600 -0.895 1.965 0.00 0.00 -0.045 A ATOM 5 C LIG 1 -0.772 -0.048 2.710 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.324 0.572 2.106 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.713 1.030 0.303 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 2.071 0.928 -1.079 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 2.918 -0.314 -1.359 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 4.128 -0.944 1.724 0.00 0.00 +0.088 C ATOM 11 C LIG 1 4.748 -0.475 0.473 0.00 0.00 +0.126 A ATOM 12 C LIG 1 4.292 -0.202 -0.799 0.00 0.00 +0.086 A ATOM 13 N LIG 1 5.340 0.228 -1.581 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 6.383 0.206 -0.770 0.00 0.00 +0.228 A ATOM 15 O LIG 1 6.089 -0.214 0.502 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 7.773 0.562 -1.044 0.00 0.00 +0.037 A ATOM 17 C LIG 1 8.768 0.487 -0.057 0.00 0.00 +0.013 A ATOM 18 C LIG 1 10.090 0.834 -0.348 0.00 0.00 +0.001 A ATOM 19 C LIG 1 10.435 1.260 -1.629 0.00 0.00 +0.000 A ATOM 20 C LIG 1 9.459 1.340 -2.620 0.00 0.00 +0.001 A ATOM 21 C LIG 1 8.138 0.993 -2.328 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -2.807 -1.547 2.599 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 CA LIG 1 -3.987 -0.589 2.860 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C LIG 1 -4.890 -1.283 3.887 0.00 0.00 +0.326 C ATOM 25 O LIG 1 -5.835 -2.024 3.663 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 OXT LIG 1 -4.520 -1.038 5.165 0.00 0.00 -0.479 OA ATOM 27 HXT LIG 1 -5.183 -1.532 5.693 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 28 ATOM 28 N LIG 1 -4.784 -0.324 1.635 0.00 0.00 -0.331 N ATOM 29 H LIG 1 -5.078 -1.217 1.220 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.295 0.552 0.651 0.00 0.00 +0.040 A ATOM 31 C LIG 1 -4.521 0.313 -0.723 0.00 0.00 +0.058 A ATOM 32 C LIG 1 -4.038 1.188 -1.711 0.00 0.00 +0.015 A ATOM 33 C LIG 1 -3.377 2.355 -1.343 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -3.201 2.645 0.006 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -3.666 1.760 0.988 0.00 0.00 +0.024 A BRANCH 31 36 ATOM 36 C LIG 1 -5.187 -0.933 -1.170 0.00 0.00 +0.248 C ATOM 37 N LIG 1 -6.308 -0.845 -2.000 0.00 0.00 -0.304 N ATOM 38 C LIG 1 -6.892 -2.089 -2.467 0.00 0.00 +0.132 C ATOM 39 C LIG 1 -7.184 0.319 -2.038 0.00 0.00 +0.132 C ATOM 40 O LIG 1 -4.705 -2.001 -0.793 0.00 0.00 -0.270 OA ENDBRANCH 31 36 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 12