REMARK  Name = BDB032600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.924   1.571   1.506  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1        0.789   1.555   2.511  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.073   1.140   0.650  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        0.038   1.070  -0.676  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1       -1.168   0.576  -1.133  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1       -2.002   0.342  -0.078  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1       -1.338   0.685   1.078  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1       -3.325  -0.188  -0.392  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -4.245  -0.461   0.632  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -5.514  -0.970   0.341  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.884  -1.212  -0.979  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.985  -0.947  -2.009  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.716  -0.438  -1.717  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1        2.376   2.232   1.023  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        3.106   2.492   2.249  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        2.145   3.292   0.068  0.00  0.00    -0.150 OA
BRANCH  14  20
ATOM     17  C   LIG    1        4.563  -1.200  -1.055  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1        3.939  -0.205  -1.817  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        3.264   0.843  -1.185  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        3.204   0.883   0.211  0.00  0.00    +0.109 A 
ATOM     21  C   LIG    1        3.839  -0.097   0.981  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        4.515  -1.141   0.344  0.00  0.00    +0.021 A 
BRANCH  17  24
ATOM     23  N   LIG    1        5.814  -3.149  -2.225  0.00  0.00    -0.191 NA
ATOM     24  C   LIG    1        5.255  -2.275  -1.704  0.00  0.00    +0.099 C 
ENDBRANCH  17  24
ENDBRANCH  14  20
ENDBRANCH   1  14
TORSDOF 5