REMARK  Name = BDB002527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.218  -1.236   1.227  0.00  0.00    -0.203 N 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        2.414   0.609   0.040  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        1.989  -0.565  -0.595  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        0.789  -1.178  -0.220  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.003  -0.616   0.789  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.442   0.537   1.444  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        1.643   1.151   1.074  0.00  0.00    +0.015 A 
BRANCH   2  11
ATOM      8  C   LIG    1        5.000   3.279  -0.674  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1        3.840   2.578  -0.183  0.00  0.00    -0.314 N 
ATOM     10  H   LIG    1        3.017   3.124   0.028  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1        3.701   1.221  -0.396  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        4.554   0.531  -0.943  0.00  0.00    -0.270 OA
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  13
ATOM     13  S   LIG    1       -1.135  -2.185   2.634  0.00  0.00    +0.043 S 
ATOM     14  O   LIG    1       -2.489  -2.529   3.019  0.00  0.00    -0.155 OA
ATOM     15  O   LIG    1       -0.237  -1.567   3.587  0.00  0.00    -0.155 OA
ATOM     16  C   LIG    1       -0.361  -3.678   2.043  0.00  0.00    +0.218 C 
ENDBRANCH   1  13
BRANCH   1  17
ATOM     17  C   LIG    1       -2.219  -1.637   0.209  0.00  0.00    +0.166 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.676  -0.490  -0.668  0.00  0.00    -0.028 A 
ATOM     19  C   LIG    1       -3.351   0.601  -0.101  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -3.776   1.664  -0.899  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.532   1.646  -2.270  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -2.863   0.567  -2.845  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.437  -0.498  -2.050  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5