REMARK  Name = BDB018483
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.564  -1.566   0.228  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1        1.226  -2.115   0.549  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.087  -3.454   0.627  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        2.135  -4.332   0.422  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        1.880  -5.759   0.539  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        3.413  -3.894   0.108  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        4.380  -4.621  -0.092  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        3.582  -2.424   0.015  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1        3.534   4.069  -0.229  0.00  0.00    +0.152 C 
ATOM     10  N   LIG    1        3.335   2.633  -0.118  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1        4.014   1.922   0.864  0.00  0.00    +0.252 A 
ATOM     12  O   LIG    1        4.821   2.402   1.656  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        3.716   0.466   0.938  0.00  0.00    +0.078 A 
ATOM     14  C   LIG    1        2.851  -0.124   0.090  0.00  0.00    -0.011 A 
ATOM     15  C   LIG    1        2.205   0.709  -0.913  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        2.444   2.023  -0.979  0.00  0.00    +0.089 A 
ENDBRANCH   1  14
BRANCH   2  17
ATOM     17  C   LIG    1        0.095  -1.259   0.759  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -1.129  -1.359   0.135  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1       -1.877  -0.274   0.547  0.00  0.00    -0.237 N 
ATOM     20  N   LIG    1       -1.233   0.434   1.498  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1       -0.034  -0.140   1.600  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.215   0.037   0.191  0.00  0.00    +0.090 A 
ATOM     23  C   LIG    1       -3.713   1.354   0.206  0.00  0.00    +0.113 A 
ATOM     24  C   LIG    1       -5.087   1.576   0.021  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1       -5.948   0.506  -0.233  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.447  -0.788  -0.316  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.088  -1.027  -0.105  0.00  0.00    +0.030 A 
BRANCH  23  28
ATOM     28  S   LIG    1       -2.613   2.768   0.196  0.00  0.00    -0.004 S 
ATOM     29  O   LIG    1       -2.483   3.245   1.557  0.00  0.00    -0.170 OA
ATOM     30  O   LIG    1       -1.473   2.428  -0.640  0.00  0.00    -0.170 OA
ATOM     31  C   LIG    1       -3.453   4.043  -0.704  0.00  0.00    +0.200 C 
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 4