REMARK  Name = BDB012301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.007   0.289   0.819  0.00  0.00    -0.222 N 
ATOM      2  N   LIG    1       -0.271   0.913  -0.140  0.00  0.00    -0.170 NA
ATOM      3  C   LIG    1        0.851   1.301   0.485  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        0.826   0.961   1.857  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.370   0.314   2.041  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -4.032  -0.822  -0.994  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -2.787  -0.242  -0.748  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -2.280  -0.298   0.545  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1       -2.950  -0.893   1.573  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -4.151  -1.444   1.299  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -4.730  -1.435   0.046  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -4.031  -0.254  -3.332  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -4.574  -0.765  -2.371  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -5.777  -1.354  -2.479  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -6.007  -1.242  -3.426  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1        1.919   2.034  -0.261  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.065   1.066  -0.435  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1        4.213   1.165   0.366  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        5.272   0.270   0.200  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.197  -0.731  -0.767  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.063  -0.840  -1.569  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.003   0.053  -1.406  0.00  0.00    +0.004 A 
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 5