REMARK  Name = BDB008899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.672  -0.541   0.416  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -0.510  -1.194   0.034  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.422  -1.661   0.994  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.123  -1.488   2.353  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.045  -0.834   2.743  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.933  -0.356   1.781  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.633  -0.012  -0.633  0.00  0.00    +0.119 C 
BRANCH   7   9
ATOM      8  C   LIG    1        3.114  -1.904  -0.696  0.00  0.00    +0.105 C 
ATOM      9  N   LIG    1        3.033  -0.458  -0.436  0.00  0.00    -0.298 NA
BRANCH   9  10
ATOM     10  C   LIG    1        3.981   0.316  -1.288  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        5.436  -0.219  -1.255  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1        6.080  -0.078   0.126  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1        6.064   1.371   0.606  0.00  0.00    +0.000 C 
ATOM     14  C   LIG    1        4.673   1.992   0.517  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1        4.067   1.808  -0.875  0.00  0.00    +0.019 C 
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  16
ATOM     16  C   LIG    1       -2.685  -2.377   0.577  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.497  -1.624  -0.473  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -4.254  -0.392  -0.084  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -4.266   0.095   1.338  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -5.353   1.140   1.611  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -5.409   2.175   0.495  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -5.697   1.513  -0.854  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -4.917   0.244  -1.066  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.901  -0.297  -2.448  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -5.507   0.250  -3.364  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -4.177  -1.443  -2.634  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -4.155  -1.830  -3.571  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1       -3.474  -2.108  -1.680  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 5