REMARK  Name = BDB055387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.296  -1.166  -0.459  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1        1.508  -0.517  -0.114  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.282   0.541   0.719  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        2.245   1.363   1.228  0.00  0.00    -0.316 N 
ATOM      5  H   LIG    1        2.012   2.148   1.821  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        3.566   1.157   0.881  0.00  0.00    +0.264 A 
ATOM      7  C   LIG    1        3.871  -0.023  -0.005  0.00  0.00    +0.124 A 
ATOM      8  O   LIG    1        4.429   1.938   1.270  0.00  0.00    -0.267 OA
ATOM      9  S   LIG    1       -0.330   0.791   1.102  0.00  0.00    -0.065 S 
ATOM     10  C   LIG    1        2.860  -0.788  -0.474  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -0.809  -0.540   0.105  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        0.211  -2.257  -1.255  0.00  0.00    -0.356 N 
ATOM     13  H   LIG    1       -0.662  -2.795  -1.254  0.00  0.00    +0.142 HD
ATOM     14  H   LIG    1        1.016  -2.853  -1.422  0.00  0.00    +0.142 HD
ENDBRANCH   1  12
BRANCH   7  15
ATOM     15  C   LIG    1        5.230  -0.406  -0.410  0.00  0.00    +0.342 C 
ATOM     16  O   LIG    1        5.523  -1.005  -1.432  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        6.166  -0.105   0.501  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        7.012  -0.400   0.108  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   7  15
BRANCH  11  19
ATOM     19  C   LIG    1       -2.204  -0.944  -0.004  0.00  0.00    +0.202 C 
ATOM     20  O   LIG    1       -2.547  -2.113  -0.193  0.00  0.00    -0.286 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -3.299   0.056   0.089  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -3.231   1.273  -0.589  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1       -4.304   2.136  -0.467  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1       -5.409   1.860   0.259  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1       -5.458   0.662   0.880  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1       -4.439  -0.270   0.823  0.00  0.00    +0.031 A 
ENDBRANCH  19  21
ENDBRANCH  11  19
TORSDOF 5