REMARK Name = BDB057105 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.588 -1.865 -0.120 0.00 0.00 +0.151 A ATOM 2 C LIG 1 -3.153 -3.288 -0.289 0.00 0.00 +0.029 A ATOM 3 C LIG 1 -2.274 -3.585 -1.326 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -1.819 -4.898 -1.521 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.259 -5.922 -0.685 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -3.159 -5.638 0.338 0.00 0.00 +0.001 A ATOM 7 C LIG 1 -1.841 -2.521 -2.245 0.00 0.00 +0.275 A ATOM 8 O LIG 1 -1.047 -2.787 -3.145 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 -2.392 -1.268 -2.030 0.00 0.00 -0.223 N ATOM 10 C LIG 1 -3.611 -4.329 0.535 0.00 0.00 +0.012 A ATOM 11 N LIG 1 -3.218 -0.960 -0.982 0.00 0.00 -0.152 NA ENDROOT BRANCH 1 12 ATOM 12 N LIG 1 -4.366 -1.547 0.987 0.00 0.00 -0.295 N ATOM 13 H LIG 1 -4.344 -2.189 1.767 0.00 0.00 +0.154 HD BRANCH 12 18 ATOM 14 C LIG 1 -6.674 2.143 3.139 0.00 0.00 +0.172 C ATOM 15 N LIG 1 -6.002 1.305 2.176 0.00 0.00 -0.273 N ATOM 16 N LIG 1 -5.810 1.761 0.927 0.00 0.00 -0.178 NA ATOM 17 C LIG 1 -5.165 0.755 0.323 0.00 0.00 +0.157 A ATOM 18 C LIG 1 -4.950 -0.341 1.186 0.00 0.00 +0.070 A ATOM 19 C LIG 1 -5.518 0.044 2.378 0.00 0.00 +0.131 A ENDBRANCH 12 18 ENDBRANCH 1 12 BRANCH 9 20 ATOM 20 C LIG 1 -1.987 -0.150 -2.877 0.00 0.00 +0.182 C BRANCH 20 21 ATOM 21 C LIG 1 -0.783 0.579 -2.322 0.00 0.00 -0.026 A ATOM 22 C LIG 1 0.510 0.249 -2.754 0.00 0.00 +0.006 A ATOM 23 C LIG 1 1.625 0.908 -2.228 0.00 0.00 +0.013 A ATOM 24 C LIG 1 1.458 1.895 -1.248 0.00 0.00 +0.037 A ATOM 25 C LIG 1 0.170 2.232 -0.818 0.00 0.00 +0.013 A ATOM 26 C LIG 1 -0.942 1.572 -1.345 0.00 0.00 +0.006 A BRANCH 24 27 ATOM 27 C LIG 1 2.617 2.616 -0.652 0.00 0.00 +0.244 C ATOM 28 N LIG 1 3.808 1.917 -0.605 0.00 0.00 -0.308 N ATOM 29 H LIG 1 3.772 0.916 -0.740 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 2.478 3.749 -0.207 0.00 0.00 -0.270 OA BRANCH 28 31 ATOM 31 C LIG 1 4.976 2.458 0.082 0.00 0.00 +0.073 C ATOM 32 C LIG 1 6.263 1.817 -0.465 0.00 0.00 +0.022 C ATOM 33 C LIG 1 6.681 0.599 0.350 0.00 0.00 +0.002 C ATOM 34 C LIG 1 6.964 0.961 1.810 0.00 0.00 +0.000 C ATOM 35 C LIG 1 6.172 2.173 2.303 0.00 0.00 +0.002 C ATOM 36 C LIG 1 4.823 2.286 1.605 0.00 0.00 +0.022 C ENDBRANCH 28 31 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 9 20 TORSDOF 6