REMARK Name = BDB045529 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.391 -0.311 -0.170 0.00 0.00 -0.045 A ATOM 2 C LIG 1 0.765 0.896 -0.493 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -0.539 1.148 -0.062 0.00 0.00 +0.046 A ATOM 4 C LIG 1 -1.239 0.206 0.697 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -0.617 -0.997 1.022 0.00 0.00 +0.046 A ATOM 6 C LIG 1 0.690 -1.254 0.592 0.00 0.00 +0.007 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 2.811 -0.583 -0.612 0.00 0.00 +0.068 C BRANCH 7 8 ATOM 8 CA LIG 1 3.868 0.106 0.273 0.00 0.00 +0.184 C BRANCH 8 9 ATOM 9 N LIG 1 5.194 -0.050 -0.372 0.00 0.00 -0.331 N ATOM 10 H LIG 1 5.391 -1.046 -0.561 0.00 0.00 +0.147 HD BRANCH 9 12 ATOM 11 C LIG 1 7.632 0.020 -0.031 0.00 0.00 +0.080 A ATOM 12 C LIG 1 6.337 0.562 0.180 0.00 0.00 +0.042 A ATOM 13 C LIG 1 6.256 1.805 0.830 0.00 0.00 +0.024 A ATOM 14 C LIG 1 7.395 2.458 1.313 0.00 0.00 +0.002 A ATOM 15 C LIG 1 8.652 1.895 1.135 0.00 0.00 +0.001 A ATOM 16 C LIG 1 8.773 0.682 0.462 0.00 0.00 +0.017 A BRANCH 11 17 ATOM 17 C LIG 1 7.791 -1.285 -0.743 0.00 0.00 +0.341 C ATOM 18 O LIG 1 6.880 -2.084 -0.911 0.00 0.00 -0.245 OA BRANCH 17 20 ATOM 19 C LIG 1 9.289 -2.665 -1.889 0.00 0.00 +0.280 C ATOM 20 O LIG 1 9.067 -1.445 -1.181 0.00 0.00 -0.464 OA ENDBRANCH 17 20 ENDBRANCH 11 17 ENDBRANCH 9 12 ENDBRANCH 8 9 BRANCH 8 21 ATOM 21 C LIG 1 3.856 -0.539 1.662 0.00 0.00 +0.326 C ATOM 22 O LIG 1 3.982 -1.727 1.921 0.00 0.00 -0.249 OA BRANCH 21 23 ATOM 23 OXT LIG 1 3.703 0.358 2.662 0.00 0.00 -0.479 OA ATOM 24 HXT LIG 1 3.744 -0.189 3.473 0.00 0.00 +0.295 HD ENDBRANCH 21 23 ENDBRANCH 8 21 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 25 ATOM 25 O LIG 1 -2.506 0.587 1.036 0.00 0.00 -0.492 OA BRANCH 25 26 ATOM 26 C LIG 1 -3.313 -0.295 1.822 0.00 0.00 +0.235 C BRANCH 26 27 ATOM 27 C LIG 1 -4.017 -1.346 0.962 0.00 0.00 +0.100 C BRANCH 27 28 ATOM 28 C LIG 1 -5.106 -0.764 0.133 0.00 0.00 +0.086 A ATOM 29 C LIG 1 -5.044 -0.152 -1.101 0.00 0.00 +0.126 A ATOM 30 C LIG 1 -3.964 0.174 -2.048 0.00 0.00 +0.088 C ATOM 31 O LIG 1 -6.311 0.220 -1.449 0.00 0.00 -0.440 OA ATOM 32 C LIG 1 -7.090 -0.194 -0.398 0.00 0.00 +0.228 A ATOM 33 N LIG 1 -6.413 -0.787 0.569 0.00 0.00 -0.214 NA BRANCH 32 34 ATOM 34 C LIG 1 -8.523 0.073 -0.492 0.00 0.00 +0.037 A ATOM 35 C LIG 1 -9.087 0.726 -1.599 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -10.462 0.968 -1.662 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -11.291 0.560 -0.618 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -10.747 -0.089 0.488 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -9.372 -0.330 0.550 0.00 0.00 +0.013 A ENDBRANCH 32 34 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 13