REMARK  Name = BDB012803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.778  -1.937   2.664  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1       -3.809  -1.811   1.527  0.00  0.00    +0.040 A 
ATOM      3  N   LIG    1       -2.575  -1.334   1.813  0.00  0.00    -0.256 NA
ATOM      4  C   LIG    1       -1.675  -1.202   0.808  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -1.991  -1.535  -0.502  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -3.265  -2.016  -0.780  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -4.193  -2.163   0.241  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -0.325  -0.665   1.196  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1        0.841  -1.616   0.926  0.00  0.00    +0.117 C 
ATOM     10  N   LIG    1        2.009  -0.749   0.827  0.00  0.00    -0.296 N 
ATOM     11  C   LIG    1        3.269  -1.303   0.693  0.00  0.00    +0.264 C 
ATOM     12  O   LIG    1        3.399  -2.524   0.599  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        1.611   0.646   0.719  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        0.109   0.606   0.459  0.00  0.00    +0.030 C 
BRANCH  11  15
ATOM     15  C   LIG    1        4.434  -0.451   0.647  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1        5.635  -0.956   0.217  0.00  0.00    -0.272 N 
ATOM     17  H   LIG    1        5.814  -1.907  -0.090  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1        6.642  -0.069   0.211  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1        6.090   1.047   0.700  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1        4.718   0.854   0.996  0.00  0.00    +0.057 A 
BRANCH  19  21
ATOM     21  C   LIG    1        6.901   2.298   0.888  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1        7.443   2.829  -0.440  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1        8.037   2.094   1.893  0.00  0.00    +0.014 C 
ENDBRANCH  19  21
ENDBRANCH  11  15
ENDBRANCH   4   8
BRANCH   6  24
ATOM     24  N   LIG    1       -3.646  -2.309  -2.121  0.00  0.00    -0.216 N 
ATOM     25  H   LIG    1       -4.349  -3.031  -2.275  0.00  0.00    +0.174 HD
BRANCH  24  26
ATOM     26  S   LIG    1       -3.805  -1.032  -3.221  0.00  0.00    +0.072 S 
ATOM     27  O   LIG    1       -4.433  -1.593  -4.399  0.00  0.00    -0.150 OA
ATOM     28  O   LIG    1       -2.551  -0.314  -3.305  0.00  0.00    -0.150 OA
BRANCH  26  29
ATOM     29  C   LIG    1       -4.997   0.024  -2.429  0.00  0.00    +0.108 A 
ATOM     30  C   LIG    1       -4.563   1.097  -1.645  0.00  0.00    +0.029 A 
ATOM     31  C   LIG    1       -5.504   1.920  -1.027  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -6.867   1.679  -1.207  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -7.296   0.620  -2.008  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1       -6.362  -0.210  -2.627  0.00  0.00    +0.029 A 
ENDBRANCH  26  29
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 6