REMARK  Name = BDB001109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.508  -3.074  -0.082  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -0.759  -1.794  -0.102  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -1.236  -0.479   0.004  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -0.132   0.333  -0.113  0.00  0.00    +0.145 A 
ATOM      5  N   LIG    1       -0.202   1.716  -0.185  0.00  0.00    -0.307 N 
ATOM      6  H   LIG    1        0.601   2.295  -0.387  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1       -1.428   2.347  -0.101  0.00  0.00    +0.255 A 
ATOM      8  C   LIG    1       -2.620   1.479   0.099  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -3.976   2.056   0.244  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -5.079   0.609   0.455  0.00  0.00    -0.151 S 
ATOM     11  C   LIG    1       -3.747  -0.641   0.325  0.00  0.00    +0.105 C 
ATOM     12  O   LIG    1       -1.537   3.566  -0.187  0.00  0.00    -0.268 OA
ATOM     13  N   LIG    1        0.971  -0.504  -0.186  0.00  0.00    -0.216 N 
ATOM     14  C   LIG    1       -2.500   0.143   0.136  0.00  0.00    -0.016 A 
ATOM     15  N   LIG    1        0.570  -1.809  -0.278  0.00  0.00    -0.169 NA
ENDROOT
BRANCH  13  16
ATOM     16  C   LIG    1        2.362  -0.195  -0.161  0.00  0.00    +0.068 A 
ATOM     17  C   LIG    1        3.280  -1.158  -0.612  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        4.650  -0.886  -0.607  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        5.116   0.339  -0.137  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.215   1.288   0.341  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.841   1.023   0.336  0.00  0.00    +0.028 A 
ENDBRANCH  13  16
TORSDOF 1