REMARK  Name = BDB015524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.184  -0.857  -1.126  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -0.611   0.122  -0.312  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.288   1.051   0.067  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        1.587   1.030  -0.388  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        1.904  -0.014  -1.224  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        1.058  -0.971  -1.605  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.199   2.108   0.992  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.492   2.477   0.926  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.029   3.459   1.743  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -3.436   3.791   1.583  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.272   4.141   2.692  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -1.706   5.038   3.411  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        0.159   3.713   2.812  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        0.977   4.387   3.867  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        0.631   2.752   2.000  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1        3.216  -0.176  -1.730  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1        3.626   0.674  -2.114  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        4.317  -0.869  -0.661  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1        3.696  -1.079   0.628  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        5.492  -0.029  -0.781  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.691  -2.458  -1.436  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1        3.456  -3.335  -1.582  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        5.766  -3.178  -0.625  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1       -1.062  -1.852  -1.541  0.00  0.00    -0.423 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -2.893  -0.436  -3.224  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -3.298  -1.062  -1.920  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1       -2.365  -1.731  -1.108  0.00  0.00    +0.138 A 
ATOM     28  C   LIG    1       -2.751  -2.341   0.098  0.00  0.00    -0.008 A 
ATOM     29  C   LIG    1       -1.764  -3.077   0.958  0.00  0.00    +0.047 C 
ATOM     30  C   LIG    1       -4.080  -2.208   0.522  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -5.006  -1.514  -0.257  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -4.619  -0.947  -1.471  0.00  0.00    +0.007 A 
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 6