REMARK  Name = BDB032254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.422   0.036   1.557  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.011  -0.013   1.038  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1        0.814  -1.099   1.287  0.00  0.00    +0.118 A 
ATOM      4  N   LIG    1        2.093  -1.203   0.855  0.00  0.00    -0.240 NA
ATOM      5  C   LIG    1        2.619  -0.184   0.140  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1        1.849   0.940  -0.164  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1        0.534   1.029   0.291  0.00  0.00    +0.010 A 
BRANCH   5   8
ATOM      8  N   LIG    1        3.945  -0.274  -0.329  0.00  0.00    -0.308 N 
ATOM      9  C   LIG    1        4.793   0.825   0.173  0.00  0.00    +0.161 C 
ATOM     10  C   LIG    1        6.244   0.623  -0.100  0.00  0.00    +0.056 A 
ATOM     11  N   LIG    1        6.702  -0.574  -0.571  0.00  0.00    -0.265 N 
ATOM     12  N   LIG    1        8.034  -0.613  -0.751  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        8.431   0.609  -0.384  0.00  0.00    +0.134 A 
ATOM     14  C   LIG    1        5.864  -1.709  -0.896  0.00  0.00    +0.162 C 
ATOM     15  C   LIG    1        7.357   1.422   0.033  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        4.539  -1.614  -0.144  0.00  0.00    +0.130 C 
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  N   LIG    1       -2.348   0.179   0.440  0.00  0.00    -0.339 N 
ATOM     18  H   LIG    1       -2.106  -0.448  -0.324  0.00  0.00    +0.146 HD
BRANCH  17  22
ATOM     19  C   LIG    1       -6.878   0.119  -1.387  0.00  0.00    +0.124 A 
ATOM     20  C   LIG    1       -6.032   0.184  -0.256  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -4.631   0.165  -0.466  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -3.740   0.190   0.656  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1       -4.287   0.336   1.941  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.663   0.373   2.145  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -4.185   0.137  -1.802  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1       -5.104   0.100  -2.836  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1       -6.526   0.286   1.059  0.00  0.00    +0.012 A 
ATOM     28  N   LIG    1       -6.435   0.078  -2.655  0.00  0.00    -0.240 NA
BRANCH  19  29
ATOM     29  N   LIG    1       -8.273   0.097  -1.267  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1       -8.566  -0.686  -0.696  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1       -8.630   0.016  -2.217  0.00  0.00    +0.144 HD
ENDBRANCH  19  29
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 5