REMARK  Name = BDB004036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.379  -0.957   1.111  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        0.908  -0.699   0.817  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.868  -1.315   1.519  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        1.612  -2.198   2.497  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        0.321  -2.460   2.752  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -0.720  -1.866   2.084  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.315  -0.282   0.334  0.00  0.00    -0.296 N 
ATOM      8  H   LIG    1       -0.856   0.222  -0.421  0.00  0.00    +0.154 HD
BRANCH   7  10
ATOM      9  C   LIG    1       -3.364   0.563  -0.650  0.00  0.00    +0.141 A 
ATOM     10  C   LIG    1       -2.655   0.124   0.496  0.00  0.00    +0.075 A 
ATOM     11  C   LIG    1       -3.336   0.064   1.717  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -4.682   0.428   1.809  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -5.369   0.854   0.677  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -4.712   0.926  -0.551  0.00  0.00    +0.047 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -3.314   0.946  -3.007  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -2.624   0.613  -1.810  0.00  0.00    -0.493 OA
ENDBRANCH   9  16
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  N   LIG    1        3.221  -1.089   1.283  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        3.759  -1.656   1.921  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.935  -0.262   0.410  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        5.339  -0.313   0.436  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        6.115   0.481  -0.413  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.498   1.345  -1.312  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.109   1.410  -1.357  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.338   0.612  -0.504  0.00  0.00    +0.023 A 
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5