REMARK  Name = BDB048279
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.308   1.916  -1.434  0.00  0.00    -0.226 NA
ATOM      2  C   LIG    1        2.150   2.464  -1.269  0.00  0.00    +0.168 C 
ATOM      3  N   LIG    1        1.864   3.716  -1.752  0.00  0.00    -0.249 N 
ATOM      4  C   LIG    1        2.852   4.494  -2.468  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1        0.596   4.200  -1.523  0.00  0.00    +0.259 C 
ATOM      6  O   LIG    1        0.159   5.288  -1.872  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1       -0.203   3.194  -0.769  0.00  0.00    +0.078 C 
ATOM      8  C   LIG    1       -1.471   3.434  -0.406  0.00  0.00    +0.028 C 
ATOM      9  S   LIG    1        0.751   1.800  -0.452  0.00  0.00    -0.049 S 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.102  -1.941   0.067  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1        4.312  -0.811   0.867  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        4.046   0.467   0.369  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        3.557   0.634  -0.928  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1        3.372  -0.489  -1.737  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        3.638  -1.769  -1.244  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1        5.846  -3.726   0.321  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        4.406  -3.320   0.596  0.00  0.00    +0.032 C 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  C   LIG    1       -2.352   2.537   0.353  0.00  0.00    -0.019 A 
ATOM     19  C   LIG    1       -2.667   1.252  -0.098  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -3.525   0.437   0.647  0.00  0.00    +0.124 A 
ATOM     21  N   LIG    1       -4.080   0.888   1.786  0.00  0.00    -0.240 NA
ATOM     22  C   LIG    1       -3.785   2.137   2.203  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1       -2.936   2.993   1.528  0.00  0.00    +0.028 A 
BRANCH  20  24
ATOM     24  N   LIG    1       -3.797  -0.852   0.124  0.00  0.00    -0.284 N 
ATOM     25  H   LIG    1       -2.914  -1.297  -0.092  0.00  0.00    +0.155 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -4.691  -1.828   0.627  0.00  0.00    +0.124 A 
ATOM     27  N   LIG    1       -5.523  -1.584   1.658  0.00  0.00    -0.240 NA
ATOM     28  C   LIG    1       -6.377  -2.555   2.047  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1       -6.466  -3.792   1.440  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -5.630  -4.044   0.364  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.742  -3.052  -0.050  0.00  0.00    +0.044 A 
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH   8  18
TORSDOF 5