REMARK  Name = BDB030272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.445   0.770  -1.042  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1       -0.185   0.800  -0.457  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.941   1.314  -1.220  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1        2.119   1.161  -0.317  0.00  0.00    +0.021 C 
ATOM      5  C   LIG    1        2.575  -0.202   0.149  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1        1.641   0.635   0.991  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.159   0.445   0.917  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1       -1.588   1.127  -2.216  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.037  -0.377   0.613  0.00  0.00    +0.094 A 
ATOM     10  C   LIG    1        5.141  -0.382  -0.200  0.00  0.00    +0.090 A 
ATOM     11  N   LIG    1        6.210  -0.573   0.676  0.00  0.00    -0.220 N 
ATOM     12  C   LIG    1        7.531  -0.635   0.232  0.00  0.00    +0.114 A 
ATOM     13  C   LIG    1        7.801  -0.510  -1.079  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        6.700  -0.311  -2.009  0.00  0.00    +0.004 A 
ATOM     15  N   LIG    1        5.734  -0.678   1.944  0.00  0.00    -0.061 NA
ATOM     16  C   LIG    1        5.421  -0.250  -1.588  0.00  0.00    +0.030 A 
ATOM     17  N   LIG    1        4.411  -0.562   1.910  0.00  0.00    -0.133 NA
ENDBRANCH   5   9
BRANCH   1  22
ATOM     18  C   LIG    1       -4.730  -0.247   0.253  0.00  0.00    +0.039 A 
ATOM     19  N   LIG    1       -3.873  -0.400   1.305  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1       -4.090  -0.723   2.243  0.00  0.00    +0.189 HD
ATOM     21  N   LIG    1       -2.603  -0.073   1.026  0.00  0.00    -0.169 NA
ATOM     22  C   LIG    1       -2.620   0.310  -0.265  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -3.945   0.214  -0.781  0.00  0.00    +0.057 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -7.033   0.696   0.101  0.00  0.00    +0.014 C 
ATOM     25  C   LIG    1       -6.191  -0.555   0.354  0.00  0.00    +0.031 C 
ATOM     26  C   LIG    1       -6.582  -1.675  -0.611  0.00  0.00    +0.014 C 
ENDBRANCH  18  25
ENDBRANCH   1  22
TORSDOF 3