REMARK Name = BDB002666 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.486 0.840 0.951 0.00 0.00 -0.069 NA ATOM 2 C LIG 1 -1.629 0.348 0.598 0.00 0.00 +0.174 C ATOM 3 C LIG 1 -2.907 0.713 1.198 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -3.891 -0.029 0.548 0.00 0.00 +0.046 A ATOM 5 C LIG 1 -5.220 0.105 0.904 0.00 0.00 +0.024 A ATOM 6 C LIG 1 -5.533 1.005 1.931 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -4.527 1.749 2.579 0.00 0.00 +0.001 A ATOM 8 N LIG 1 -3.325 -0.853 -0.437 0.00 0.00 -0.269 N ATOM 9 C LIG 1 -4.077 -1.741 -1.281 0.00 0.00 +0.138 C ATOM 10 C LIG 1 -3.188 1.607 2.212 0.00 0.00 +0.012 A ATOM 11 C LIG 1 -1.949 -0.696 -0.485 0.00 0.00 +0.273 C ATOM 12 O LIG 1 -1.143 -1.244 -1.208 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 0.554 0.287 0.186 0.00 0.00 -0.311 OA BRANCH 13 14 ATOM 14 C LIG 1 1.758 0.809 0.560 0.00 0.00 +0.366 C ATOM 15 O LIG 1 1.974 1.643 1.429 0.00 0.00 -0.243 OA BRANCH 14 19 ATOM 16 C LIG 1 6.629 0.558 -0.526 0.00 0.00 +0.044 C ATOM 17 C LIG 1 5.227 0.083 -0.767 0.00 0.00 -0.050 A ATOM 18 C LIG 1 4.161 0.618 -0.029 0.00 0.00 +0.018 A ATOM 19 C LIG 1 2.841 0.204 -0.268 0.00 0.00 +0.062 A ATOM 20 C LIG 1 2.591 -0.749 -1.266 0.00 0.00 +0.015 A ATOM 21 C LIG 1 3.648 -1.273 -2.013 0.00 0.00 +0.001 A ATOM 22 C LIG 1 4.957 -0.856 -1.769 0.00 0.00 +0.003 A ENDBRANCH 14 19 ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 3