REMARK  Name = BDB061429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.607   0.038   0.078  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.422   0.884  -0.084  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1       -1.620   0.323   0.141  0.00  0.00    +0.150 A 
ATOM      4  C   LIG    1       -1.851  -0.994   0.502  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -3.258  -1.144   0.630  0.00  0.00    +0.104 A 
ATOM      6  C   LIG    1       -3.851   0.074   0.337  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -0.719  -1.800   0.651  0.00  0.00    +0.132 A 
ATOM      8  N   LIG    1       -2.833   0.961   0.056  0.00  0.00    -0.315 N 
ATOM      9  C   LIG    1       -3.013   2.355  -0.285  0.00  0.00    +0.152 C 
ATOM     10  N   LIG    1        0.494  -1.258   0.428  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   6  11
ATOM     11  N   LIG    1       -5.150   0.500   0.296  0.00  0.00    -0.313 N 
ATOM     12  C   LIG    1       -6.054  -0.117  -0.707  0.00  0.00    +0.072 C 
ATOM     13  C   LIG    1       -5.935   0.580  -2.054  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -7.449   0.046  -0.099  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -7.179  -0.162   1.378  0.00  0.00    +0.021 C 
ATOM     16  C   LIG    1       -5.868   0.587   1.589  0.00  0.00    +0.107 C 
ENDBRANCH   6  11
BRANCH   7  17
ATOM     17  N   LIG    1       -0.751  -3.135   1.016  0.00  0.00    -0.342 N 
ATOM     18  H   LIG    1       -1.583  -3.668   0.804  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        0.136  -3.595   0.840  0.00  0.00    +0.144 HD
ENDBRANCH   7  17
BRANCH   1  20
ATOM     20  N   LIG    1        1.864   0.606  -0.155  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1        1.712   1.573  -0.409  0.00  0.00    +0.155 HD
BRANCH  20  27
ATOM     22  C   LIG    1        4.513   2.164  -0.790  0.00  0.00    +0.067 C 
ATOM     23  C   LIG    1        4.272   0.762  -0.363  0.00  0.00    +0.058 A 
ATOM     24  N   LIG    1        5.284  -0.153  -0.162  0.00  0.00    -0.261 N 
ATOM     25  N   LIG    1        4.835  -1.368   0.211  0.00  0.00    -0.177 NA
ATOM     26  C   LIG    1        3.510  -1.220   0.262  0.00  0.00    +0.158 A 
ATOM     27  C   LIG    1        3.103   0.081  -0.087  0.00  0.00    +0.074 A 
BRANCH  24  28
ATOM     28  C   LIG    1        6.704   0.055  -0.316  0.00  0.00    +0.135 C 
ATOM     29  C   LIG    1        7.341  -0.779  -1.413  0.00  0.00    +0.186 C 
ATOM     30  O   LIG    1        8.750  -0.818  -1.118  0.00  0.00    -0.378 OA
ATOM     31  C   LIG    1        8.930  -0.444   0.257  0.00  0.00    +0.162 C 
ATOM     32  C   LIG    1        7.555  -0.324   0.881  0.00  0.00    +0.057 C 
ENDBRANCH  24  28
ENDBRANCH  20  27
ENDBRANCH   1  20
BRANCH   5  33
ATOM     33  C   LIG    1       -3.942  -2.342   0.991  0.00  0.00    +0.103 C 
ATOM     34  N   LIG    1       -4.477  -3.336   1.266  0.00  0.00    -0.191 NA
ENDBRANCH   5  33
TORSDOF 6