REMARK  Name = BDB003130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.102  -0.017  -0.286  0.00  0.00    +0.072 A 
ATOM      2  N   LIG    1        1.165   1.199  -0.885  0.00  0.00    -0.247 NA
ATOM      3  C   LIG    1        0.044   1.807  -1.308  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.236   1.249  -1.145  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -2.360   1.945  -1.663  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -2.213   3.179  -2.293  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -0.947   3.731  -2.425  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.280   0.004  -0.483  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.163   3.039  -1.937  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -0.113  -0.645  -0.076  0.00  0.00    +0.042 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        6.231  -2.321   1.266  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        4.919  -1.715   0.849  0.00  0.00    -0.047 A 
ATOM     13  C   LIG    1        4.829  -0.838  -0.245  0.00  0.00    -0.047 A 
ATOM     14  C   LIG    1        6.040  -0.466  -1.056  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        3.576  -0.297  -0.593  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        2.399  -0.603   0.117  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        2.522  -1.473   1.212  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        3.759  -2.020   1.571  0.00  0.00    +0.004 A 
ENDBRANCH   1  16
BRANCH   8  19
ATOM     19  C   LIG    1       -2.552  -0.688  -0.170  0.00  0.00    +0.250 C 
ATOM     20  N   LIG    1       -3.411   0.048   0.633  0.00  0.00    -0.261 N 
ATOM     21  H   LIG    1       -3.094   0.950   0.958  0.00  0.00    +0.157 HD
ATOM     22  O   LIG    1       -2.702  -1.836  -0.560  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.679  -0.220   1.066  0.00  0.00    +0.156 C 
ATOM     24  S   LIG    1       -5.527  -1.664   0.650  0.00  0.00    -0.089 S 
ATOM     25  C   LIG    1       -7.070  -0.905   1.179  0.00  0.00    +0.100 C 
ATOM     26  C   LIG    1       -6.599   0.126   2.192  0.00  0.00    +0.155 C 
ATOM     27  N   LIG    1       -5.276   0.660   1.796  0.00  0.00    -0.262 NA
ENDBRANCH  20  23
ENDBRANCH   8  19
TORSDOF 3