REMARK  Name = BDB003378
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.762   1.166  -0.369  0.00  0.00    +0.123 C 
ATOM      2  C   LIG    1       -0.520   2.645  -0.264  0.00  0.00    +0.212 C 
ATOM      3  O   LIG    1       -0.889   3.285   0.721  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1        0.209   3.319  -1.343  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        0.497   2.639  -2.516  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.188   3.290  -3.549  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        1.594   4.618  -3.389  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.295   5.301  -2.209  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        0.054   1.247  -2.681  0.00  0.00    +0.213 C 
ATOM     10  O   LIG    1        0.041   0.762  -3.808  0.00  0.00    -0.285 OA
ATOM     11  C   LIG    1        0.603   4.657  -1.185  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -0.386   0.461  -1.466  0.00  0.00    +0.149 C 
ENDROOT
BRANCH   1  15
ATOM     13  N   LIG    1       -1.840  -0.042   2.781  0.00  0.00    -0.335 N 
ATOM     14  C   LIG    1       -1.147   0.818   2.009  0.00  0.00    +0.181 A 
ATOM     15  N   LIG    1       -1.353   0.504   0.718  0.00  0.00    -0.302 N 
ATOM     16  C   LIG    1       -2.212  -0.592   0.665  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1       -2.484  -0.953   1.954  0.00  0.00    +0.105 A 
BRANCH  13  19
ATOM     18  C   LIG    1       -2.436   1.142   4.855  0.00  0.00    +0.030 C 
ATOM     19  C   LIG    1       -1.787  -0.097   4.246  0.00  0.00    +0.082 C 
ATOM     20  C   LIG    1       -0.356  -0.294   4.735  0.00  0.00    +0.030 C 
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  12  21
ATOM     21  N   LIG    1       -0.270  -0.883  -1.702  0.00  0.00    -0.092 NA
BRANCH  21  22
ATOM     22  S   LIG    1        0.808  -1.563  -0.722  0.00  0.00    +0.092 S 
ATOM     23  O   LIG    1        2.072  -0.840  -0.607  0.00  0.00    -0.148 OA
ATOM     24  O   LIG    1        0.260  -2.023   0.554  0.00  0.00    -0.148 OA
BRANCH  22  25
ATOM     25  C   LIG    1        1.310  -3.100  -1.529  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1        1.688  -3.061  -2.874  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1        2.006  -4.252  -3.531  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        1.949  -5.466  -2.844  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        1.583  -5.494  -1.498  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        1.259  -4.308  -0.833  0.00  0.00    +0.029 A 
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH  12  21
TORSDOF 5