REMARK Name = BDB057511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.420 -0.868 -0.851 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.606 -0.870 -1.747 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -2.993 0.081 -1.854 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -4.955 -1.280 -1.088 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.654 -1.748 -1.388 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -3.412 -3.128 -1.320 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -4.428 -4.023 -0.975 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -5.709 -3.555 -0.701 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -5.976 -2.188 -0.763 0.00 0.00 +0.013 A BRANCH 4 11 ATOM 10 O LIG 1 -4.698 0.903 -1.952 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -5.257 0.182 -1.127 0.00 0.00 +0.195 C BRANCH 11 12 ATOM 12 C LIG 1 -6.213 0.796 -0.175 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -7.072 1.798 -0.640 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -7.979 2.399 0.234 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -8.019 2.010 1.573 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.147 1.027 2.044 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.238 0.423 1.174 0.00 0.00 +0.012 A ENDBRANCH 11 12 ENDBRANCH 4 11 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -1.803 -0.534 0.596 0.00 0.00 +0.326 C ATOM 19 O LIG 1 -2.529 0.373 0.977 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 -1.241 -1.369 1.498 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 -1.544 -1.025 2.363 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 -0.424 0.187 -1.365 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 0.920 0.138 -0.676 0.00 0.00 -0.045 A ATOM 24 C LIG 1 1.242 1.064 0.321 0.00 0.00 +0.007 A ATOM 25 C LIG 1 2.478 1.000 0.967 0.00 0.00 +0.046 A ATOM 26 C LIG 1 3.411 0.015 0.632 0.00 0.00 +0.121 A ATOM 27 C LIG 1 3.095 -0.907 -0.362 0.00 0.00 +0.046 A ATOM 28 C LIG 1 1.856 -0.847 -1.012 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 4.576 0.079 1.343 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 5.607 -0.876 1.083 0.00 0.00 +0.233 C BRANCH 30 31 ATOM 31 C LIG 1 6.479 -0.477 -0.112 0.00 0.00 +0.076 C BRANCH 31 32 ATOM 32 C LIG 1 7.369 0.709 0.184 0.00 0.00 -0.044 A ATOM 33 C LIG 1 6.870 2.014 0.069 0.00 0.00 +0.005 A ATOM 34 C LIG 1 7.685 3.112 0.352 0.00 0.00 +0.020 A ATOM 35 C LIG 1 9.002 2.909 0.755 0.00 0.00 +0.041 A ATOM 36 CL LIG 1 10.008 4.261 1.105 0.00 0.00 -0.084 Cl ATOM 37 C LIG 1 9.511 1.618 0.878 0.00 0.00 +0.020 A ATOM 38 C LIG 1 8.696 0.520 0.595 0.00 0.00 +0.005 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 12