REMARK  Name = BDB048255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.008  -0.932  -2.259  0.00  0.00    -0.226 NA
ATOM      2  C   LIG    1       -1.825  -1.430  -2.105  0.00  0.00    +0.168 C 
ATOM      3  N   LIG    1       -1.204  -2.140  -3.101  0.00  0.00    -0.249 N 
ATOM      4  C   LIG    1       -1.841  -2.367  -4.380  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1        0.055  -2.627  -2.829  0.00  0.00    +0.259 C 
ATOM      6  O   LIG    1        0.763  -3.279  -3.586  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        0.459  -2.246  -1.447  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1        1.654  -2.583  -0.944  0.00  0.00    +0.028 C 
ATOM      9  S   LIG    1       -0.792  -1.337  -0.695  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.854   1.234   0.849  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1       -4.048   1.889  -0.092  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -3.434   1.168  -1.119  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -3.607  -0.214  -1.217  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1       -4.432  -0.864  -0.297  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -5.049  -0.148   0.732  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -6.902   2.515   1.524  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -5.531   2.012   1.948  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  C   LIG    1        2.154  -2.246   0.393  0.00  0.00    -0.019 A 
ATOM     19  C   LIG    1        3.277  -1.426   0.519  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        3.757  -1.113   1.787  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1        3.194  -1.618   2.905  0.00  0.00    -0.240 NA
ATOM     22  C   LIG    1        2.113  -2.414   2.763  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1        1.559  -2.754   1.543  0.00  0.00    +0.028 A 
BRANCH  20  24
ATOM     24  N   LIG    1        4.886  -0.311   1.981  0.00  0.00    -0.299 N 
ATOM     25  H   LIG    1        5.062  -0.271   2.981  0.00  0.00    +0.154 HD
BRANCH  24  26
ATOM     26  C   LIG    1        5.298   0.866   1.326  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1        6.615   1.306   1.523  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        7.093   2.459   0.895  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        6.255   3.192   0.059  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.943   2.772  -0.144  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        4.469   1.617   0.485  0.00  0.00    +0.023 A 
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH   8  18
TORSDOF 5