REMARK  Name = BDB012303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.677   1.601   0.075  0.00  0.00    -0.222 N 
ATOM      2  N   LIG    1        0.758   0.665   0.440  0.00  0.00    -0.170 NA
ATOM      3  C   LIG    1       -0.395   1.337   0.537  0.00  0.00    +0.064 A 
ATOM      4  C   LIG    1       -0.233   2.706   0.235  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.101   2.846  -0.057  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.828  -0.316  -0.170  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        3.478  -0.029   0.041  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        3.053   1.283  -0.134  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1        3.897   2.289  -0.501  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        5.195   1.975  -0.696  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        5.705   0.701  -0.544  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        6.539  -2.002  -0.174  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.376  -1.682  -0.008  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        4.444  -2.580   0.352  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        4.936  -3.425   0.422  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1       -1.651   0.630   0.925  0.00  0.00    +0.062 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.287  -0.100  -0.260  0.00  0.00    +0.041 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.575  -0.781   0.130  0.00  0.00    -0.047 A 
ATOM     19  C   LIG    1       -4.804  -0.127  -0.032  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -5.992  -0.753   0.349  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.963  -2.034   0.897  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.745  -2.690   1.067  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.556  -2.067   0.687  0.00  0.00    +0.003 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 6