REMARK  Name = BDB032253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.311   0.789  -0.075  0.00  0.00    +0.122 A 
ATOM      2  N   LIG    1        1.759  -0.338  -0.574  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1        0.576  -0.761  -0.067  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -0.123  -0.110   0.938  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1        0.432   1.069   1.426  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.650   1.520   0.914  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        5.193   2.895   0.109  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1        4.597   1.513   0.401  0.00  0.00    +0.138 C 
ATOM      9  N   LIG    1        3.525   1.253  -0.601  0.00  0.00    -0.304 N 
ATOM     10  C   LIG    1        3.986   0.547  -1.815  0.00  0.00    +0.129 C 
ATOM     11  C   LIG    1        4.699  -0.767  -1.488  0.00  0.00    +0.142 C 
ATOM     12  N   LIG    1        5.711  -0.562  -0.471  0.00  0.00    -0.331 N 
ATOM     13  C   LIG    1        6.809  -1.329  -0.223  0.00  0.00    +0.107 A 
ATOM     14  C   LIG    1        7.427  -0.716   0.843  0.00  0.00    +0.130 A 
ATOM     15  N   LIG    1        6.731   0.400   1.238  0.00  0.00    -0.239 NA
ATOM     16  C   LIG    1        5.694   0.475   0.427  0.00  0.00    +0.130 A 
ENDBRANCH   1   9
BRANCH   4  17
ATOM     17  C   LIG    1       -1.435  -0.644   1.438  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.460  -0.416   0.429  0.00  0.00    -0.339 N 
ATOM     19  H   LIG    1       -2.398   0.524   0.044  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.803  -0.766   0.672  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -4.814  -0.393  -0.272  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -6.168  -0.749  -0.043  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -7.141  -0.333  -0.988  0.00  0.00    +0.124 A 
ATOM     24  N   LIG    1       -6.844   0.364  -2.098  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1       -5.554   0.666  -2.313  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1       -6.484  -1.508   1.105  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.496  -1.922   1.990  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -4.529   0.318  -1.453  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1       -4.170  -1.565   1.766  0.00  0.00    +0.023 A 
BRANCH  23  30
ATOM     30  N   LIG    1       -8.502  -0.642  -0.823  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1       -8.613  -1.650  -0.802  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       -8.828  -0.256   0.056  0.00  0.00    +0.144 HD
ENDBRANCH  23  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 5