REMARK  Name = BDB032877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.697  -1.614   0.793  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.674  -1.640   0.872  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        1.052  -2.107   1.683  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -1.353  -2.017   1.757  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.576  -0.319  -0.267  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.427  -1.130  -0.410  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.008  -1.549  -1.683  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -1.675  -1.105  -2.823  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.772  -0.260  -2.693  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.222   0.127  -1.426  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -4.357   0.787   2.879  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.117   0.791   1.390  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -3.052  -0.011   1.033  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -2.591  -0.522   1.786  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -4.833   1.446   0.641  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        1.533  -0.841   0.174  0.00  0.00    +0.166 A 
ATOM     17  S   LIG    1        3.168  -1.005   0.636  0.00  0.00    -0.034 S 
ATOM     18  C   LIG    1        3.596   0.177  -0.528  0.00  0.00    +0.146 A 
ATOM     19  C   LIG    1        2.460   0.618  -1.174  0.00  0.00    +0.147 A 
ATOM     20  N   LIG    1        1.276   0.044  -0.752  0.00  0.00    -0.231 NA
BRANCH  18  21
ATOM     21  S   LIG    1        5.295   0.602  -0.692  0.00  0.00    +0.002 S 
ATOM     22  O   LIG    1        6.021  -0.650  -0.730  0.00  0.00    -0.169 OA
ATOM     23  O   LIG    1        5.332   1.545  -1.791  0.00  0.00    -0.169 OA
ATOM     24  C   LIG    1        5.679   1.464   0.809  0.00  0.00    +0.201 C 
ENDBRANCH  18  21
ENDBRANCH   2  16
TORSDOF 4