REMARK  Name = BDB003234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.347   0.750  -0.211  0.00  0.00    -0.314 N 
ATOM      2  H   LIG    1       -0.620   1.698  -0.451  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.370  -0.185  -0.259  0.00  0.00    +0.043 C 
ATOM      4  C   LIG    1       -2.723   0.270   0.183  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -3.866  -0.518  -0.030  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -5.143  -0.079   0.354  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -5.296   1.151   0.985  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.176   1.934   1.241  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.736  -1.850  -0.646  0.00  0.00    +0.233 C 
ATOM     10  O   LIG    1       -4.714  -2.511  -0.966  0.00  0.00    -0.283 OA
ATOM     11  C   LIG    1       -2.336  -2.383  -0.870  0.00  0.00    +0.228 C 
ATOM     12  O   LIG    1       -2.133  -3.550  -1.171  0.00  0.00    -0.284 OA
ATOM     13  C   LIG    1       -2.905   1.497   0.850  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -1.221  -1.433  -0.734  0.00  0.00    +0.078 C 
ENDBRANCH   1   3
BRANCH   1  18
ATOM     15  C   LIG    1        3.826   0.219   0.068  0.00  0.00    +0.105 A 
ATOM     16  C   LIG    1        3.300   1.325  -0.600  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        1.913   1.485  -0.675  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        1.041   0.557  -0.083  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        1.596  -0.542   0.588  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        2.981  -0.712   0.673  0.00  0.00    +0.030 A 
BRANCH  15  21
ATOM     21  S   LIG    1        5.582   0.006   0.190  0.00  0.00    +0.056 S 
ATOM     22  O   LIG    1        6.223   1.225  -0.245  0.00  0.00    -0.153 OA
ATOM     23  O   LIG    1        5.876  -0.620   1.456  0.00  0.00    -0.153 OA
BRANCH  21  24
ATOM     24  N   LIG    1        5.872  -1.117  -1.030  0.00  0.00    -0.204 NA
ATOM     25  H   LIG    1        5.023  -1.520  -1.425  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        6.460  -0.685  -1.746  0.00  0.00    +0.144 HD
ENDBRANCH  21  24
ENDBRANCH  15  21
ENDBRANCH   1  18
TORSDOF 4