REMARK Name = BDB059143 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.769 -0.119 0.097 0.00 0.00 +0.076 A ATOM 2 C LIG 1 -0.655 1.296 -0.145 0.00 0.00 +0.138 A ATOM 3 C LIG 1 0.492 1.999 -0.043 0.00 0.00 +0.048 A ATOM 4 C LIG 1 1.635 1.336 0.313 0.00 0.00 +0.018 A ATOM 5 C LIG 1 1.619 -0.007 0.561 0.00 0.00 +0.061 A ATOM 6 C LIG 1 0.416 -0.701 0.447 0.00 0.00 +0.042 A ENDROOT BRANCH 1 9 ATOM 7 O LIG 1 -3.703 -2.291 -0.094 0.00 0.00 -0.279 OA ATOM 8 C LIG 1 -3.245 -1.152 -0.232 0.00 0.00 +0.330 C ATOM 9 N LIG 1 -2.027 -0.644 -0.070 0.00 0.00 -0.285 N ATOM 10 H LIG 1 -1.542 -1.875 0.323 0.00 0.00 +0.155 HD ENDBRANCH 1 9 BRANCH 2 11 ATOM 11 O LIG 1 -1.844 1.912 -0.502 0.00 0.00 -0.505 OA ATOM 12 H LIG 1 -1.854 2.886 -0.688 0.00 0.00 +0.292 HD ENDBRANCH 2 11 BRANCH 5 13 ATOM 13 C LIG 1 2.833 -0.680 0.940 0.00 0.00 +0.337 C ATOM 14 O LIG 1 3.897 0.008 1.009 0.00 0.00 -0.245 OA BRANCH 13 15 ATOM 15 O LIG 1 2.831 -2.015 1.214 0.00 0.00 -0.477 OA ATOM 16 H LIG 1 2.361 -2.738 0.691 0.00 0.00 +0.295 HD ENDBRANCH 13 15 ENDBRANCH 5 13 TORSDOF 4