REMARK  Name = BDB012299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.005  -0.068   0.006  0.00  0.00    +0.155 A 
ATOM      2  N   LIG    1        0.124  -1.417   0.130  0.00  0.00    -0.236 NA
ATOM      3  C   LIG    1        1.370  -1.929   0.221  0.00  0.00    +0.114 A 
ATOM      4  C   LIG    1        2.517  -1.162   0.196  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        2.375   0.218   0.068  0.00  0.00    +0.064 A 
ATOM      6  C   LIG    1        1.100   0.779  -0.029  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.735  -1.610   0.042  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -2.552  -0.141  -0.081  0.00  0.00    +0.044 A 
ATOM      9  N   LIG    1       -1.319   0.505  -0.093  0.00  0.00    -0.219 N 
ATOM     10  N   LIG    1       -1.478   1.856  -0.219  0.00  0.00    -0.173 NA
ATOM     11  C   LIG    1       -2.794   2.043  -0.284  0.00  0.00    +0.135 A 
ATOM     12  C   LIG    1       -3.511   0.844  -0.204  0.00  0.00    +0.044 A 
ENDBRANCH   1   9
BRANCH   5  13
ATOM     13  C   LIG    1        3.547   1.123   0.031  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1        3.513   2.333  -0.078  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1        4.714   0.463   0.132  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1        5.387   1.175   0.094  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   5  13
TORSDOF 3