REMARK  Name = BDB003440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.482   1.942  -0.957  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        5.222   1.252  -0.680  0.00  0.00    -0.290 N 
ATOM      3  C   LIG    1        5.173   0.232   0.329  0.00  0.00    +0.164 A 
ATOM      4  S   LIG    1        6.545  -0.217   1.229  0.00  0.00    -0.013 S 
ATOM      5  N   LIG    1        3.914  -0.389   0.537  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1        3.716  -1.445   1.535  0.00  0.00    +0.153 C 
ATOM      7  C   LIG    1        2.834   0.013  -0.222  0.00  0.00    +0.167 A 
ATOM      8  C   LIG    1        2.939   0.986  -1.164  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1        1.692   1.113  -1.702  0.00  0.00    -0.327 N 
ATOM     10  H   LIG    1        1.405   1.748  -2.434  0.00  0.00    +0.168 HD
ATOM     11  C   LIG    1        0.899   0.209  -1.054  0.00  0.00    +0.169 A 
ATOM     12  N   LIG    1        1.562  -0.477  -0.150  0.00  0.00    -0.204 NA
ATOM     13  C   LIG    1        4.134   1.676  -1.464  0.00  0.00    +0.280 A 
ATOM     14  O   LIG    1        4.176   2.548  -2.325  0.00  0.00    -0.265 OA
ENDROOT
BRANCH  11  15
ATOM     15  S   LIG    1       -0.767   0.076  -1.468  0.00  0.00    -0.087 S 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.302  -1.198  -0.275  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.790  -1.568  -0.428  0.00  0.00    +0.095 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.720  -0.845   0.465  0.00  0.00    -0.297 NA
ATOM     19  C   LIG    1       -5.078  -1.429   0.355  0.00  0.00    +0.112 C 
ATOM     20  C   LIG    1       -6.093  -0.677   1.229  0.00  0.00    +0.175 C 
ATOM     21  O   LIG    1       -6.153   0.709   0.869  0.00  0.00    -0.377 OA
ATOM     22  C   LIG    1       -4.860   1.306   1.027  0.00  0.00    +0.175 C 
ATOM     23  C   LIG    1       -3.804   0.599   0.159  0.00  0.00    +0.112 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  11  15
TORSDOF 4