REMARK  Name = BDB002180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.751   0.508  -0.823  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        2.537  -0.236   0.064  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        3.793  -0.341  -0.494  0.00  0.00    +0.155 A 
ATOM      4  C   LIG    1        4.823  -1.019   0.125  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1        4.555  -1.612   1.360  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.276  -1.511   1.937  0.00  0.00    +0.002 A 
ATOM      7  O   LIG    1        3.896   0.296  -1.713  0.00  0.00    -0.431 OA
ATOM      8  C   LIG    1        2.249  -0.817   1.287  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        2.611   0.815  -1.891  0.00  0.00    +0.254 A 
ATOM     10  S   LIG    1        2.396   1.668  -3.303  0.00  0.00    +0.010 S 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -0.425   1.506  -1.381  0.00  0.00    +0.064 C 
ATOM     12  C   LIG    1        0.420   0.821  -0.600  0.00  0.00    +0.099 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -1.853   1.788  -1.046  0.00  0.00    +0.158 C 
ATOM     14  O   LIG    1       -2.530   2.408  -1.867  0.00  0.00    -0.293 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -2.458   1.321   0.265  0.00  0.00    +0.082 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -3.200  -0.645   1.637  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1       -2.891  -0.151   0.224  0.00  0.00    -0.010 C 
ATOM     18  C   LIG    1       -4.113  -0.350  -0.676  0.00  0.00    +0.007 C 
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   1  12
TORSDOF 4