REMARK Name = BDB057491 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.848 0.088 -3.622 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 0.098 -0.326 -0.466 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -0.714 -1.397 -0.841 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -1.667 -1.251 -1.851 0.00 0.00 +0.007 A ATOM 5 C LIG 1 -1.834 -0.022 -2.504 0.00 0.00 -0.045 A ATOM 6 C LIG 1 -1.004 1.043 -2.136 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -0.051 0.895 -1.120 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 0.970 -0.608 0.546 0.00 0.00 -0.492 OA BRANCH 8 9 ATOM 9 C LIG 1 1.935 0.379 0.926 0.00 0.00 +0.235 C BRANCH 9 10 ATOM 10 C LIG 1 3.158 0.350 0.008 0.00 0.00 +0.100 C BRANCH 10 15 ATOM 11 C LIG 1 5.732 -1.861 1.102 0.00 0.00 +0.235 A ATOM 12 O LIG 1 4.991 -2.809 0.431 0.00 0.00 -0.440 OA ATOM 13 C LIG 1 3.931 -2.128 -0.091 0.00 0.00 +0.126 A ATOM 14 C LIG 1 2.957 -2.905 -0.876 0.00 0.00 +0.088 C ATOM 15 C LIG 1 4.049 -0.810 0.288 0.00 0.00 +0.086 A ATOM 16 N LIG 1 5.195 -0.651 1.034 0.00 0.00 -0.213 NA BRANCH 11 19 ATOM 17 C LIG 1 7.745 0.229 2.345 0.00 0.00 +0.045 C ATOM 18 C LIG 1 7.867 -1.262 2.366 0.00 0.00 -0.031 A ATOM 19 C LIG 1 6.961 -2.155 1.801 0.00 0.00 +0.077 A ATOM 20 S LIG 1 7.460 -3.785 2.015 0.00 0.00 -0.092 S ATOM 21 C LIG 1 8.862 -3.320 2.867 0.00 0.00 +0.046 A ATOM 22 C LIG 1 8.961 -1.954 2.986 0.00 0.00 +0.012 A ENDBRANCH 11 19 ENDBRANCH 10 15 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 CA LIG 1 -3.651 1.395 -3.719 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C LIG 1 -4.626 1.349 -4.903 0.00 0.00 +0.326 C ATOM 25 O LIG 1 -4.401 0.837 -5.989 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 OXT LIG 1 -5.790 1.992 -4.615 0.00 0.00 -0.479 OA ATOM 27 HXT LIG 1 -5.733 2.264 -3.663 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 28 ATOM 28 N LIG 1 -4.391 1.826 -2.488 0.00 0.00 -0.331 N ATOM 29 H LIG 1 -3.812 2.501 -1.955 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 -4.903 0.876 -1.578 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -4.635 0.962 -0.185 0.00 0.00 +0.043 A ATOM 32 C LIG 1 -5.242 0.059 0.705 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -6.077 -0.951 0.230 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -6.331 -1.054 -1.132 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -5.760 -0.143 -2.025 0.00 0.00 +0.023 A BRANCH 31 36 ATOM 36 C LIG 1 -3.722 2.027 0.345 0.00 0.00 +0.195 C ATOM 37 O LIG 1 -3.527 3.055 -0.307 0.00 0.00 -0.287 OA BRANCH 36 38 ATOM 38 C LIG 1 -3.014 1.889 1.639 0.00 0.00 +0.022 A ATOM 39 C LIG 1 -2.965 2.994 2.497 0.00 0.00 +0.012 A ATOM 40 C LIG 1 -2.284 2.903 3.711 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -1.635 1.718 4.061 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -1.663 0.623 3.196 0.00 0.00 +0.001 A ATOM 43 C LIG 1 -2.352 0.707 1.985 0.00 0.00 +0.012 A ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 13