REMARK  Name = BDB018670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -6.895   0.466  -0.517  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -5.912   1.387  -1.159  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -4.582   1.083  -0.466  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -3.653   2.289  -0.490  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -4.040   3.438  -0.688  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -2.343   2.049  -0.164  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -1.760   2.869  -0.047  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -1.769   0.775  -0.103  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -2.506  -0.333  -0.527  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -1.914  -1.598  -0.495  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -0.605  -1.747  -0.029  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        0.146  -0.638   0.397  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1       -0.456   0.630   0.346  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -3.883  -0.130  -1.102  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -5.051   0.809   0.971  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -6.361   0.048   0.805  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        1.527  -0.800   0.877  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1        2.505  -1.407   0.071  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        3.814  -1.556   0.531  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1        4.176  -1.090   1.792  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        3.220  -0.488   2.607  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        1.907  -0.345   2.152  0.00  0.00    +0.008 A 
BRANCH  19  23
ATOM     23  N   LIG    1        4.820  -2.128  -0.307  0.00  0.00    -0.220 N 
ATOM     24  H   LIG    1        4.490  -2.933  -0.842  0.00  0.00    +0.173 HD
BRANCH  23  25
ATOM     25  S   LIG    1        5.559  -1.064  -1.412  0.00  0.00    +0.046 S 
ATOM     26  O   LIG    1        4.514  -0.397  -2.157  0.00  0.00    -0.155 OA
ATOM     27  O   LIG    1        6.562  -1.851  -2.098  0.00  0.00    -0.155 OA
BRANCH  25  28
ATOM     28  C   LIG    1        6.399   0.225  -0.447  0.00  0.00    +0.151 C 
ATOM     29  C   LIG    1        7.752   0.631  -0.963  0.00  0.00    +0.030 C 
ATOM     30  C   LIG    1        7.644  -0.238   0.262  0.00  0.00    +0.030 C 
ENDBRANCH  25  28
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  12  17
BRANCH   1  32
ATOM     31  N   LIG    1       -9.300   0.305  -1.165  0.00  0.00    -0.174 NA
ATOM     32  C   LIG    1       -8.185   0.382  -0.867  0.00  0.00    +0.169 C 
ENDBRANCH   1  32
TORSDOF 5