REMARK  Name = BDB064050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.931   0.097  -2.437  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        0.188  -0.183  -1.500  0.00  0.00    +0.308 C 
ATOM      3  N   LIG    1       -1.137  -0.402  -1.768  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -1.293  -0.497  -2.766  0.00  0.00    +0.156 HD
ATOM      5  N   LIG    1        0.584  -0.384  -0.206  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -0.019  -1.002   0.319  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.280  -0.391  -0.948  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -2.304   0.171   0.336  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -3.514   0.140   1.050  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1       -4.686  -0.413   0.530  0.00  0.00    +0.102 A 
ATOM     11  N   LIG    1       -5.786  -0.364   1.378  0.00  0.00    -0.141 NA
ATOM     12  N   LIG    1       -5.497   0.218   2.529  0.00  0.00    -0.109 NA
ATOM     13  C   LIG    1       -4.651  -0.947  -0.771  0.00  0.00    +0.032 A 
ATOM     14  S   LIG    1       -3.909   0.727   2.622  0.00  0.00    +0.037 S 
ATOM     15  C   LIG    1       -3.453  -0.920  -1.498  0.00  0.00    +0.025 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  C   LIG    1        1.850  -0.114   0.350  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        2.809   0.691  -0.271  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1        4.040   0.915   0.364  0.00  0.00    +0.128 A 
ATOM     19  C   LIG    1        4.321   0.349   1.614  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        3.357  -0.441   2.236  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.129  -0.666   1.609  0.00  0.00    +0.023 A 
BRANCH  18  22
ATOM     22  N   LIG    1        5.047   1.762  -0.284  0.00  0.00    +0.056 N 
ATOM     23  O   LIG    1        4.686   2.467  -1.237  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1        6.200   1.731   0.170  0.00  0.00    -0.126 OA
ENDBRANCH  18  22
ENDBRANCH   5  16
TORSDOF 3