REMARK  Name = BDB012304
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.746  -1.652   0.453  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1        0.545  -0.269  -0.059  0.00  0.00    +0.051 A 
ATOM      3  N   LIG    1       -0.712   0.294  -0.284  0.00  0.00    -0.218 N 
ATOM      4  N   LIG    1       -0.608   1.598  -0.679  0.00  0.00    -0.173 NA
ATOM      5  C   LIG    1        0.700   1.831  -0.739  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        1.469   0.711  -0.385  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.008  -0.318  -0.154  0.00  0.00    +0.155 A 
ATOM      8  N   LIG    1       -2.092  -1.626   0.210  0.00  0.00    -0.236 NA
ATOM      9  C   LIG    1       -3.319  -2.178   0.321  0.00  0.00    +0.114 A 
ATOM     10  C   LIG    1       -4.490  -1.489   0.083  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -4.395  -0.150  -0.291  0.00  0.00    +0.064 A 
ATOM     12  C   LIG    1       -3.141   0.450  -0.414  0.00  0.00    +0.063 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -5.651   0.590  -0.547  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1       -6.774   0.129  -0.461  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.442   1.869  -0.898  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1       -6.341   2.235  -1.036  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   3   7
BRANCH   6  17
ATOM     17  C   LIG    1        2.910   0.576  -0.320  0.00  0.00    -0.015 A 
ATOM     18  C   LIG    1        3.569  -0.397  -1.080  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        4.960  -0.510  -1.026  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.699   0.352  -0.217  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.049   1.329   0.537  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        3.659   1.443   0.485  0.00  0.00    +0.008 A 
ENDBRANCH   6  17
TORSDOF 4