REMARK Name = BDB024405 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.918 0.172 -0.352 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.533 0.909 -1.630 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.024 0.190 -2.702 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.366 0.833 -3.893 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.149 2.201 -4.034 0.00 0.00 +0.000 A ATOM 6 C LIG 1 0.411 2.927 -2.986 0.00 0.00 +0.000 A ATOM 7 C LIG 1 0.753 2.287 -1.793 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.440 1.161 1.579 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -0.356 1.730 2.409 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 0.763 1.020 0.945 0.00 0.00 +0.240 C ATOM 11 O LIG 1 1.706 1.633 1.469 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -4.289 -0.094 0.631 0.00 0.00 +0.004 A ATOM 13 C LIG 1 -3.188 -0.400 -0.155 0.00 0.00 +0.121 A ATOM 14 N LIG 1 -1.917 -0.019 0.129 0.00 0.00 -0.240 NA ATOM 15 C LIG 1 -1.712 0.707 1.239 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -2.757 1.052 2.093 0.00 0.00 +0.044 A ATOM 17 C LIG 1 -4.058 0.646 1.787 0.00 0.00 +0.013 A BRANCH 12 20 ATOM 18 C LIG 1 -6.398 -1.946 2.331 0.00 0.00 +0.068 C ATOM 19 C LIG 1 -6.556 -1.319 0.995 0.00 0.00 +0.068 A ATOM 20 C LIG 1 -5.621 -0.528 0.274 0.00 0.00 +0.027 A ATOM 21 C LIG 1 -6.265 -0.203 -0.905 0.00 0.00 +0.041 A ATOM 22 C LIG 1 -5.868 0.610 -2.080 0.00 0.00 +0.065 C ATOM 23 N LIG 1 -7.493 -0.802 -0.827 0.00 0.00 -0.281 N ATOM 24 H LIG 1 -8.243 -0.784 -1.511 0.00 0.00 +0.189 HD ATOM 25 N LIG 1 -7.696 -1.478 0.312 0.00 0.00 -0.178 NA ENDBRANCH 12 20 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 2.260 -0.476 -0.441 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 2.206 -1.212 -1.143 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 3.374 0.416 -0.783 0.00 0.00 +0.089 C BRANCH 28 29 ATOM 29 C LIG 1 4.739 -0.316 -0.684 0.00 0.00 +0.030 C ATOM 30 C LIG 1 5.867 0.632 -1.110 0.00 0.00 +0.014 C BRANCH 29 31 ATOM 31 C LIG 1 5.068 -0.908 0.681 0.00 0.00 -0.043 A ATOM 32 C LIG 1 4.769 -0.239 1.877 0.00 0.00 +0.005 A ATOM 33 C LIG 1 5.098 -0.803 3.114 0.00 0.00 +0.019 A ATOM 34 C LIG 1 5.738 -2.042 3.172 0.00 0.00 +0.052 A ATOM 35 C LIG 1 6.053 -2.714 1.988 0.00 0.00 +0.019 A ATOM 36 C LIG 1 5.722 -2.150 0.753 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 6.073 -2.622 4.440 0.00 0.00 +0.099 C ATOM 38 N LIG 1 6.346 -3.093 5.465 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9