REMARK  Name = BDB063988
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.563  -1.027   0.518  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.661  -2.291   0.990  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.497  -2.798   1.215  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.584  -2.759   1.255  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.906  -3.834   1.718  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.447  -1.619   0.844  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.781  -1.671   0.944  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.652  -0.582   0.404  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.734  -0.606   0.589  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.523   0.257  -0.498  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.496   1.228  -0.796  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.670   1.351  -0.051  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.536   2.352  -0.464  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.021   2.973  -1.500  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.880   0.471   1.027  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.500   2.413  -2.048  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.915  -0.499   1.331  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.654  -0.292   0.197  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.409   0.602  -0.218  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.904  -0.843  -0.285  0.00  0.00    +0.178 C 
BRANCH  20  24
ATOM     21  C   LIG    1       -6.871   1.811   0.463  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -5.705   1.392  -0.338  0.00  0.00    +0.102 A 
ATOM     23  O   LIG    1       -4.917   0.424   0.206  0.00  0.00    -0.463 OA
ATOM     24  C   LIG    1       -3.905   0.186  -0.676  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1       -4.044   0.997  -1.784  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -5.207   1.775  -1.565  0.00  0.00    +0.045 A 
ENDBRANCH  20  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 4