REMARK  Name = BDB031301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.260   2.664   0.542  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.670   1.612   0.286  0.00  0.00    +0.252 C 
ATOM      3  N   LIG    1       -0.729   1.505   0.277  0.00  0.00    -0.267 N 
ATOM      4  C   LIG    1       -1.494   0.300   0.398  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -2.830   0.275  -0.047  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -3.574  -0.915   0.006  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -3.019  -2.068   0.551  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.726  -2.036   1.060  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -3.470   1.520  -0.596  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -2.950   2.707   0.192  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1       -0.975  -0.859   0.993  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -1.437   2.773   0.077  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   2  13
ATOM     13  C   LIG    1        1.524   0.488  -0.149  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1        2.713   0.222   0.543  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1        3.476  -0.803   0.046  0.00  0.00    +0.087 A 
ATOM     16  C   LIG    1        3.079  -1.505  -1.089  0.00  0.00    +0.158 A 
ATOM     17  N   LIG    1        4.044  -2.466  -1.342  0.00  0.00    -0.291 N 
ATOM     18  H   LIG    1        4.025  -3.117  -2.107  0.00  0.00    +0.172 HD
ATOM     19  C   LIG    1        5.049  -2.370  -0.376  0.00  0.00    +0.326 A 
ATOM     20  O   LIG    1        6.052  -3.056  -0.295  0.00  0.00    -0.247 OA
ATOM     21  N   LIG    1        1.972  -1.275  -1.797  0.00  0.00    -0.235 NA
ATOM     22  N   LIG    1        4.684  -1.327   0.489  0.00  0.00    -0.305 N 
ATOM     23  H   LIG    1        5.236  -1.032   1.278  0.00  0.00    +0.170 HD
ATOM     24  C   LIG    1        1.214  -0.255  -1.305  0.00  0.00    +0.126 A 
ENDBRANCH   2  13
TORSDOF 1