REMARK Name = BDB057542 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -2.127 -1.109 -0.183 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.911 -2.583 -0.558 0.00 0.00 +0.326 C ATOM 3 O LIG 1 -1.003 -3.034 -1.243 0.00 0.00 -0.249 OA BRANCH 2 4 ATOM 4 OXT LIG 1 -2.813 -3.425 0.002 0.00 0.00 -0.479 OA ATOM 5 HXT LIG 1 -2.571 -4.309 -0.345 0.00 0.00 +0.295 HD ENDBRANCH 2 4 ENDBRANCH 1 2 BRANCH 1 6 ATOM 6 N LIG 1 -3.582 -0.859 -0.020 0.00 0.00 -0.331 N ATOM 7 H LIG 1 -3.985 -1.541 0.640 0.00 0.00 +0.147 HD BRANCH 6 8 ATOM 8 C LIG 1 -4.081 0.430 0.206 0.00 0.00 +0.039 A ATOM 9 C LIG 1 -5.321 0.618 0.861 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -5.854 1.901 1.066 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -5.189 3.017 0.566 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -4.000 2.850 -0.138 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -3.461 1.572 -0.323 0.00 0.00 +0.023 A BRANCH 9 14 ATOM 14 C LIG 1 -6.061 -0.554 1.394 0.00 0.00 +0.195 C ATOM 15 O LIG 1 -5.454 -1.392 2.058 0.00 0.00 -0.287 OA BRANCH 14 16 ATOM 16 C LIG 1 -7.513 -0.736 1.125 0.00 0.00 +0.023 A ATOM 17 C LIG 1 -8.130 -0.199 -0.014 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -9.504 -0.396 -0.241 0.00 0.00 +0.055 A ATOM 19 C LIG 1 -10.242 -1.161 0.675 0.00 0.00 +0.012 A ATOM 20 C LIG 1 -9.626 -1.713 1.799 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -8.265 -1.504 2.022 0.00 0.00 +0.012 A BRANCH 18 22 ATOM 22 C LIG 1 -10.158 0.177 -1.475 0.00 0.00 +0.417 C ATOM 23 F LIG 1 -9.960 -0.599 -2.575 0.00 0.00 -0.166 F ATOM 24 F LIG 1 -11.507 0.320 -1.353 0.00 0.00 -0.166 F ATOM 25 F LIG 1 -9.683 1.413 -1.797 0.00 0.00 -0.166 F ENDBRANCH 18 22 ENDBRANCH 14 16 ENDBRANCH 9 14 ENDBRANCH 6 8 ENDBRANCH 1 6 BRANCH 1 26 ATOM 26 C LIG 1 -1.353 -0.831 1.121 0.00 0.00 +0.068 C BRANCH 26 30 ATOM 27 C LIG 1 2.585 0.799 0.339 0.00 0.00 +0.121 A ATOM 28 C LIG 1 1.515 1.639 0.658 0.00 0.00 +0.046 A ATOM 29 C LIG 1 0.245 1.115 0.916 0.00 0.00 +0.007 A ATOM 30 C LIG 1 0.027 -0.266 0.865 0.00 0.00 -0.045 A ATOM 31 C LIG 1 1.101 -1.106 0.549 0.00 0.00 +0.007 A ATOM 32 C LIG 1 2.371 -0.577 0.288 0.00 0.00 +0.046 A BRANCH 27 33 ATOM 33 O LIG 1 3.766 1.449 0.114 0.00 0.00 -0.490 OA BRANCH 33 34 ATOM 34 C LIG 1 4.908 0.681 -0.272 0.00 0.00 +0.248 C BRANCH 34 35 ATOM 35 C LIG 1 5.665 0.159 0.958 0.00 0.00 +0.150 C BRANCH 35 37 ATOM 36 C LIG 1 6.405 -2.141 0.329 0.00 0.00 +0.134 C ATOM 37 N LIG 1 6.752 -0.757 0.607 0.00 0.00 -0.285 N BRANCH 37 38 ATOM 38 C LIG 1 7.878 -0.278 0.028 0.00 0.00 +0.291 A ATOM 39 O LIG 1 8.114 1.070 0.125 0.00 0.00 -0.424 OA ATOM 40 C LIG 1 9.296 1.251 -0.528 0.00 0.00 +0.157 A ATOM 41 C LIG 1 9.715 0.016 -0.988 0.00 0.00 +0.111 A ATOM 42 C LIG 1 10.919 -0.071 -1.698 0.00 0.00 +0.031 A ATOM 43 C LIG 1 11.649 1.110 -1.910 0.00 0.00 +0.002 A ATOM 44 C LIG 1 11.188 2.342 -1.427 0.00 0.00 +0.004 A ATOM 45 C LIG 1 9.984 2.443 -0.716 0.00 0.00 +0.048 A ATOM 46 N LIG 1 8.804 -0.944 -0.632 0.00 0.00 -0.195 NA ENDBRANCH 37 38 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 26 30 ENDBRANCH 1 26 TORSDOF 14