REMARK  Name = BDB030624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.823   0.624   1.441  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.407   0.050   1.141  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        1.552   0.344   1.985  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1        2.691  -0.390   1.358  0.00  0.00    +0.021 C 
ATOM      5  C   LIG    1        3.169  -0.056  -0.040  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        2.166  -1.165   0.202  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.695  -0.917   0.086  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1       -0.920   1.413   2.386  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -4.135   0.287  -0.114  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -3.326  -0.557  -0.821  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1       -3.578  -1.150  -1.605  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1       -2.054  -0.576  -0.396  0.00  0.00    -0.169 NA
ATOM     13  C   LIG    1       -2.020   0.294   0.632  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1       -3.316   0.853   0.836  0.00  0.00    +0.057 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -6.371  -0.826  -0.211  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -5.592   0.476  -0.402  0.00  0.00    +0.031 C 
ATOM     17  C   LIG    1       -5.814   1.043  -1.805  0.00  0.00    +0.014 C 
ENDBRANCH   9  16
ENDBRANCH   1  13
BRANCH   5  18
ATOM     18  C   LIG    1        4.539  -0.381  -0.441  0.00  0.00    +0.068 C 
ATOM     19  C   LIG    1        5.705   0.268   0.148  0.00  0.00    +0.084 C 
ATOM     20  C   LIG    1        6.830  -0.449  -0.532  0.00  0.00    +0.214 C 
ATOM     21  O   LIG    1        6.236  -1.319  -1.528  0.00  0.00    -0.390 OA
ATOM     22  C   LIG    1        6.679   1.034  -0.708  0.00  0.00    +0.061 C 
ATOM     23  N   LIG    1        4.814  -1.255  -1.355  0.00  0.00    -0.093 NA
ENDBRANCH   5  18
TORSDOF 3