REMARK  Name = BDB050038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.097   1.833  -0.573  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.885   1.247   0.428  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.234   1.603   0.597  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.776   2.592  -0.232  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.999   3.179  -1.229  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.666   2.797  -1.403  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.208   1.802  -1.567  0.00  0.00    +0.267 C 
ATOM      8  N   LIG    1        1.236   1.402  -0.671  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1        1.560   0.701  -0.010  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.083   2.623  -2.468  0.00  0.00    -0.268 OA
BRANCH   7  13
ATOM     11  C   LIG    1        4.927   2.126  -3.211  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1        4.645   1.247  -2.042  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1        3.476   1.093  -1.315  0.00  0.00    +0.136 A 
ATOM     14  N   LIG    1        3.566   0.171  -0.262  0.00  0.00    -0.234 NA
ATOM     15  C   LIG    1        4.772  -0.363  -0.208  0.00  0.00    +0.109 A 
ATOM     16  S   LIG    1        5.862   0.227  -1.402  0.00  0.00    -0.072 S 
BRANCH  15  17
ATOM     17  C   LIG    1        5.186  -1.357   0.802  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        6.287  -2.213   0.634  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        6.633  -3.142   1.621  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.883  -3.234   2.791  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.784  -2.399   2.975  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        4.439  -1.472   1.988  0.00  0.00    +0.010 A 
ENDBRANCH  15  17
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1       -3.057   0.965   1.694  0.00  0.00    +0.093 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.451   0.540   1.252  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1       -4.630  -0.669   0.407  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -5.932  -0.996   0.033  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -6.186  -2.120  -0.763  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -5.128  -2.921  -1.189  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -3.823  -2.599  -0.819  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -7.045  -0.148   0.487  0.00  0.00    +0.272 A 
ATOM     31  O   LIG    1       -8.207  -0.399   0.185  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -6.704   0.930   1.266  0.00  0.00    -0.242 N 
ATOM     33  H   LIG    1       -7.460   1.528   1.589  0.00  0.00    +0.192 HD
ATOM     34  C   LIG    1       -3.571  -1.478  -0.022  0.00  0.00    +0.010 A 
ATOM     35  N   LIG    1       -5.447   1.280   1.647  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5