REMARK  Name = BDB012923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.522  -1.218   2.409  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.424  -0.382   2.503  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.440   0.114   1.440  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.683   0.672   2.158  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.127   1.059   3.528  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.118  -0.041   3.806  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        2.032  -1.673   3.435  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        2.792  -1.940  -0.964  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        3.506  -2.769  -0.196  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.066  -2.516   1.046  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.473  -3.022   1.826  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.075  -1.568   1.121  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        1.894  -1.165  -0.187  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        2.623  -3.233  -3.110  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        2.983  -1.899  -2.453  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        4.404  -1.477  -2.833  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -2.324   1.794   1.492  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1       -2.640   2.569   2.062  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -2.831   1.674   0.210  0.00  0.00    +0.221 C 
ATOM     20  O   LIG    1       -2.626   0.662  -0.462  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -3.646   2.892  -0.270  0.00  0.00    +0.126 C 
ATOM     22  C   LIG    1       -5.000   2.625  -0.938  0.00  0.00    +0.174 C 
ATOM     23  O   LIG    1       -4.686   3.562  -2.002  0.00  0.00    -0.378 OA
ATOM     24  C   LIG    1       -3.284   3.498  -1.630  0.00  0.00    +0.174 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4