REMARK  Name = BDB037920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.946  -0.714   1.411  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.934  -0.172   1.000  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1       -4.752   1.175   0.890  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -5.460   1.842   1.154  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -3.527   1.546   0.432  0.00  0.00    +0.229 C 
ATOM      6  O   LIG    1       -3.182   2.711   0.300  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.721   0.245   0.148  0.00  0.00    +0.087 C 
ATOM      8  C   LIG    1       -1.296   0.152   0.736  0.00  0.00    +0.126 C 
ATOM      9  N   LIG    1       -0.910  -0.467  -0.535  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        0.362  -0.516  -1.082  0.00  0.00    +0.248 C 
ATOM     11  O   LIG    1        0.552  -0.331  -2.282  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -2.063   0.106  -1.238  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -3.682  -0.883   0.541  0.00  0.00    +0.115 C 
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1        1.460  -0.803  -0.156  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1        2.804  -0.267  -0.265  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.631  -0.727   0.766  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        4.978  -0.325   0.875  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        5.503   0.555  -0.072  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.710   1.028  -1.106  0.00  0.00    +0.001 A 
ATOM     20  S   LIG    1        2.793  -1.802   1.814  0.00  0.00    -0.096 S 
ATOM     21  C   LIG    1        3.374   0.628  -1.209  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        1.355  -1.671   0.915  0.00  0.00    +0.059 A 
ENDBRANCH  10  14
TORSDOF 1