REMARK  Name = BDB030299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.721   0.355  -0.830  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1       -1.651   0.654  -1.106  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.248   1.213  -1.282  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1       -0.058   2.218  -1.916  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.673   0.937  -1.008  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        2.587   1.053  -2.060  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        3.940   0.822  -1.817  0.00  0.00    +0.051 A 
ATOM      8  N   LIG    1        4.855   0.928  -2.886  0.00  0.00    -0.322 N 
ATOM      9  H   LIG    1        4.529   1.178  -3.810  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        6.219   0.725  -2.780  0.00  0.00    +0.257 A 
ATOM     11  C   LIG    1        6.709   0.375  -1.452  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        5.835   0.264  -0.385  0.00  0.00    +0.034 A 
ATOM     13  S   LIG    1        6.632  -0.156   1.059  0.00  0.00    -0.096 S 
ATOM     14  C   LIG    1        8.156  -0.193   0.281  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        8.057   0.109  -1.060  0.00  0.00    +0.021 A 
ATOM     16  O   LIG    1        6.954   0.835  -3.756  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        4.395   0.488  -0.522  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        3.472   0.404   0.527  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        2.115   0.636   0.286  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  C   LIG    1       -0.585  -1.051  -0.469  0.00  0.00    +0.109 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.134  -1.351   0.929  0.00  0.00    +0.054 C 
BRANCH  21  25
ATOM     22  C   LIG    1       -5.422  -0.822   1.171  0.00  0.00    +0.161 A 
ATOM     23  C   LIG    1       -4.561   0.251   1.475  0.00  0.00    +0.162 A 
ATOM     24  C   LIG    1       -3.175   0.067   1.405  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1       -2.631  -1.171   1.027  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -3.494  -2.225   0.716  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -4.879  -2.054   0.791  0.00  0.00    +0.049 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -7.665  -1.628   0.990  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -6.767  -0.563   1.267  0.00  0.00    -0.491 OA
ENDBRANCH  22  29
BRANCH  23  30
ATOM     30  O   LIG    1       -5.168   1.429   1.833  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -4.341   2.570   2.009  0.00  0.00    +0.277 C 
ENDBRANCH  23  30
ENDBRANCH  21  25
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6