REMARK  Name = BDB012807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.444  -0.228  -0.297  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.415   0.391   0.803  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.775   0.316   0.283  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.828   0.807   1.042  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.625   1.319   2.142  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.853  -0.654  -0.805  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.483  -1.324  -0.835  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1       -4.166  -0.409   0.428  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1       -2.932   0.028  -0.068  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -1.780  -0.707   0.201  0.00  0.00    +0.047 A 
ATOM     11  N   LIG    1       -1.805  -1.838   0.943  0.00  0.00    -0.256 NA
ATOM     12  C   LIG    1       -2.996  -2.263   1.423  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -2.998  -3.522   2.237  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1       -4.184  -1.581   1.190  0.00  0.00    +0.031 A 
BRANCH   8  18
ATOM     15  C   LIG    1       -7.398   1.620  -2.836  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -6.973   1.358  -1.421  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1       -5.801   0.633  -1.155  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -5.401   0.344   0.162  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -6.214   0.793   1.214  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -7.389   1.503   0.960  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -7.769   1.780  -0.352  0.00  0.00    +0.003 A 
ENDBRANCH   8  18
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  C   LIG    1        4.158   0.700   0.498  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1        4.512   0.883  -0.807  0.00  0.00    -0.272 N 
ATOM     24  H   LIG    1        3.910   1.133  -1.583  0.00  0.00    +0.189 HD
ATOM     25  N   LIG    1        5.822   0.721  -1.054  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1        6.352   0.504   0.157  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1        5.354   0.500   1.159  0.00  0.00    +0.057 A 
BRANCH  26  28
ATOM     28  C   LIG    1        7.830   0.304   0.338  0.00  0.00    +0.033 C 
ATOM     29  C   LIG    1        8.626   1.540  -0.087  0.00  0.00    +0.014 C 
ATOM     30  C   LIG    1        8.330  -0.939  -0.400  0.00  0.00    +0.014 C 
ENDBRANCH  26  28
ENDBRANCH   4  22
TORSDOF 4