REMARK  Name = BDB001703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.580  -0.197   1.290  0.00  0.00    -0.022 A 
ATOM      2  C   LIG    1        1.600  -0.548   0.357  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1        2.500   0.471   0.061  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        3.557   0.362  -0.805  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        4.241   1.674  -0.822  0.00  0.00    +0.257 A 
ATOM      6  N   LIG    1        3.519   2.473   0.053  0.00  0.00    -0.322 N 
ATOM      7  H   LIG    1        3.742   3.436   0.253  0.00  0.00    +0.169 HD
ATOM      8  O   LIG    1        5.222   1.967  -1.472  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        3.809  -0.818  -1.472  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.942  -1.892  -1.225  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        2.465   1.736   0.583  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1        1.487   2.102   1.476  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        1.853  -1.767  -0.328  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        0.539   1.125   1.824  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1       -0.498  -1.173   1.694  0.00  0.00    +0.140 C 
BRANCH  15  18
ATOM     16  O   LIG    1       -2.832   0.245   2.207  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -2.731  -0.300   1.109  0.00  0.00    +0.251 C 
ATOM     18  N   LIG    1       -1.630  -1.080   0.800  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1       -1.476  -1.334  -0.163  0.00  0.00    +0.149 HD
BRANCH  17  20
ATOM     20  C   LIG    1       -3.716  -0.178   0.040  0.00  0.00    +0.074 A 
ATOM     21  S   LIG    1       -4.946   1.015   0.179  0.00  0.00    -0.092 S 
ATOM     22  C   LIG    1       -5.639   0.586  -1.321  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -4.964  -0.451  -1.923  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -3.858  -0.895  -1.138  0.00  0.00    +0.021 A 
ENDBRANCH  17  20
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 3