REMARK  Name = BDB032975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.015   0.402  -0.776  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        1.836  -0.275   0.093  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        1.429  -0.908   0.768  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        1.334   1.119  -1.713  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.149  -0.442  -0.220  0.00  0.00    -0.047 A 
ATOM      6  C   LIG    1       -2.417   0.129   0.833  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -1.058   0.452   0.686  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1       -0.335   1.094   1.837  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -0.430   0.156  -0.538  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -1.161  -0.387  -1.602  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -2.514  -0.684  -1.442  0.00  0.00    +0.004 A 
BRANCH   5  13
ATOM     12  C   LIG    1       -5.491   0.436  -0.420  0.00  0.00    +0.009 C 
ATOM     13  C   LIG    1       -4.616  -0.751  -0.049  0.00  0.00    +0.032 C 
ENDBRANCH   5  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  C   LIG    1        3.205  -0.244   0.130  0.00  0.00    +0.167 A 
ATOM     15  S   LIG    1        4.144   0.738  -0.902  0.00  0.00    -0.028 S 
ATOM     16  C   LIG    1        5.547   0.142  -0.158  0.00  0.00    +0.185 A 
ATOM     17  C   LIG    1        5.230  -0.760   0.829  0.00  0.00    +0.153 A 
ATOM     18  N   LIG    1        3.872  -0.977   0.995  0.00  0.00    -0.231 NA
BRANCH  16  19
ATOM     19  N   LIG    1        6.853   0.561  -0.550  0.00  0.00    +0.065 N 
ATOM     20  O   LIG    1        7.798   0.051   0.068  0.00  0.00    -0.126 OA
ATOM     21  O   LIG    1        6.957   1.391  -1.461  0.00  0.00    -0.126 OA
ENDBRANCH  16  19
ENDBRANCH   2  14
TORSDOF 4