REMARK Name = BDB010404 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.566 1.810 0.349 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.237 1.390 0.273 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.758 2.305 -0.033 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.992 1.734 -0.037 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.801 0.477 0.283 0.00 0.00 +0.199 A ATOM 6 N LIG 1 0.545 3.607 -0.285 0.00 0.00 -0.203 NA ATOM 7 C LIG 1 -0.751 3.927 -0.188 0.00 0.00 +0.203 A ATOM 8 N LIG 1 0.453 0.207 0.449 0.00 0.00 -0.308 N ATOM 9 N LIG 1 -1.783 3.118 0.114 0.00 0.00 -0.208 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -1.072 5.345 -0.465 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -0.078 6.193 -0.780 0.00 0.00 -0.269 N ATOM 12 H LIG 1 0.902 5.976 -0.861 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -0.638 7.390 -0.988 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -0.051 8.413 -1.303 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -1.992 7.276 -0.791 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -2.237 5.907 -0.448 0.00 0.00 -0.051 NA ENDBRANCH 7 10 BRANCH 1 17 ATOM 17 N LIG 1 -2.619 0.970 0.666 0.00 0.00 -0.324 N ATOM 18 H LIG 1 -2.484 0.022 0.348 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 -4.425 1.703 -0.871 0.00 0.00 +0.028 C ATOM 20 C LIG 1 -4.022 1.397 0.570 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 -4.389 2.549 1.506 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -4.162 2.314 3.027 0.00 0.00 +0.005 C ATOM 23 C LIG 1 -5.449 3.127 3.271 0.00 0.00 +0.001 C ATOM 24 C LIG 1 -5.898 2.700 1.859 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 5 25 ATOM 25 N LIG 1 2.749 -0.478 0.423 0.00 0.00 -0.306 N ATOM 26 H LIG 1 2.606 -1.206 1.122 0.00 0.00 +0.150 HD BRANCH 25 27 ATOM 27 CA LIG 1 4.162 -0.074 0.416 0.00 0.00 +0.129 C BRANCH 27 28 ATOM 28 C LIG 1 5.001 -1.036 -0.426 0.00 0.00 -0.025 A ATOM 29 C LIG 1 4.619 -2.365 -0.677 0.00 0.00 +0.005 A ATOM 30 C LIG 1 5.430 -3.214 -1.434 0.00 0.00 +0.000 A ATOM 31 C LIG 1 6.636 -2.749 -1.952 0.00 0.00 +0.000 A ATOM 32 C LIG 1 7.034 -1.436 -1.712 0.00 0.00 +0.000 A ATOM 33 C LIG 1 6.224 -0.587 -0.955 0.00 0.00 +0.005 A ENDBRANCH 27 28 BRANCH 27 34 ATOM 34 C LIG 1 4.671 -0.044 1.879 0.00 0.00 +0.182 C BRANCH 34 35 ATOM 35 O LIG 1 4.425 -1.295 2.543 0.00 0.00 -0.393 OA ATOM 36 H LIG 1 5.056 -1.933 2.162 0.00 0.00 +0.209 HD ENDBRANCH 34 35 ENDBRANCH 27 34 ENDBRANCH 25 27 ENDBRANCH 5 25 BRANCH 8 37 ATOM 37 C LIG 1 -0.125 -1.084 0.777 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 -0.712 -1.843 -0.434 0.00 0.00 +0.009 C ATOM 39 C LIG 1 -1.669 -2.941 0.077 0.00 0.00 +0.005 C ATOM 40 C LIG 1 -1.792 -4.095 -0.911 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -0.444 -4.811 -1.103 0.00 0.00 -0.014 C ATOM 42 C LIG 1 -0.440 -5.578 -2.427 0.00 0.00 +0.007 C ATOM 43 C LIG 1 0.753 -3.846 -1.008 0.00 0.00 +0.003 C ATOM 44 C LIG 1 0.366 -2.417 -1.377 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 8 37 TORSDOF 11