REMARK  Name = BDB015806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.226   1.523  -0.169  0.00  0.00    +0.320 A 
ATOM      2  N   LIG    1       -0.984   0.417  -0.146  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.681  -0.554  -1.034  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.350  -0.420  -1.935  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        1.053   0.754  -1.852  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        0.793   1.746  -1.001  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.516  -1.782  -0.994  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.815  -1.671  -0.651  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.665  -2.767  -0.588  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -5.054  -2.544  -0.217  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.237  -4.060  -0.871  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.942  -5.064  -0.839  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.802  -4.195  -1.230  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.009  -3.117  -1.281  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        2.169   1.031  -2.669  0.00  0.00    -0.199 N 
ATOM     16  H   LIG    1        2.396   2.024  -2.661  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.548   0.098  -2.393  0.00  0.00    +0.073 S 
ATOM     18  O   LIG    1        4.618   0.699  -3.159  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1        3.203  -1.299  -2.555  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.899   0.383  -0.672  0.00  0.00    +0.109 A 
ATOM     21  C   LIG    1        3.567  -0.587   0.278  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        3.848  -0.352   1.624  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.467   0.838   2.011  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.813   1.795   1.055  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        4.535   1.569  -0.293  0.00  0.00    +0.029 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  26
ATOM     26  O   LIG    1       -0.489   2.558   0.699  0.00  0.00    -0.460 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -1.036   3.135   2.935  0.00  0.00    +0.052 C 
ATOM     28  C   LIG    1       -1.419   2.259   1.744  0.00  0.00    +0.171 C 
ATOM     29  C   LIG    1       -2.838   2.589   1.289  0.00  0.00    +0.052 C 
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 6