REMARK  Name = BDB017043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.717   1.358   0.232  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -1.121   2.556  -0.110  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.170   2.371   0.042  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.441   1.101   0.455  0.00  0.00    -0.336 N 
ATOM      5  C   LIG    1       -0.748   0.438   0.587  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -5.084  -0.276   0.111  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -3.696  -0.144   0.130  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -3.160   1.132   0.218  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1       -3.945   2.237   0.290  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -5.283   2.076   0.300  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1       -5.903   0.846   0.215  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -5.173  -2.592   0.598  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -5.652  -1.636   0.017  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -6.716  -1.712  -0.808  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -6.878  -0.917  -1.351  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1        1.758   0.560   0.726  0.00  0.00    +0.127 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.370  -0.092  -0.512  0.00  0.00    +0.057 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.738  -0.657  -0.220  0.00  0.00    -0.044 A 
ATOM     19  C   LIG    1        4.884   0.134  -0.383  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        6.144  -0.389  -0.091  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1        7.543   0.591  -0.296  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1        6.277  -1.697   0.370  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.142  -2.489   0.539  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.878  -1.972   0.248  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6