REMARK  Name = BDB015808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.358   0.427   0.449  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        1.753   1.605   0.699  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.585   1.555   1.353  0.00  0.00    +0.326 A 
ATOM      4  O   LIG    1       -0.023   2.782   1.582  0.00  0.00    -0.423 OA
ATOM      5  C   LIG    1       -1.383   2.829   1.377  0.00  0.00    +0.135 A 
ATOM      6  C   LIG    1       -1.988   2.287   0.241  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1       -3.374   2.335   0.113  0.00  0.00    +0.124 A 
ATOM      8  O   LIG    1       -3.979   1.731  -0.959  0.00  0.00    -0.492 OA
ATOM      9  C   LIG    1       -4.284   0.360  -0.646  0.00  0.00    +0.229 C 
ATOM     10  C   LIG    1       -3.247  -0.569  -1.281  0.00  0.00    +0.041 C 
ATOM     11  C   LIG    1       -3.209  -1.976  -0.680  0.00  0.00    +0.005 C 
ATOM     12  C   LIG    1       -2.899  -1.965   0.824  0.00  0.00    +0.025 C 
ATOM     13  C   LIG    1       -2.164  -3.211   1.303  0.00  0.00    +0.188 C 
ATOM     14  S   LIG    1       -0.381  -3.119   1.118  0.00  0.00    +0.044 S 
ATOM     15  N   LIG    1        0.004  -1.827   2.110  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        0.414  -2.116   2.997  0.00  0.00    +0.175 HD
ATOM     17  C   LIG    1        0.623  -0.698   1.525  0.00  0.00    +0.145 A 
ATOM     18  O   LIG    1       -0.051  -2.811  -0.256  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        0.188  -4.279   1.773  0.00  0.00    -0.155 OA
ATOM     20  C   LIG    1       -4.152   3.007   1.054  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -3.539   3.596   2.161  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -2.155   3.503   2.325  0.00  0.00    +0.046 A 
ATOM     23  N   LIG    1        0.000   0.443   1.823  0.00  0.00    -0.178 NA
ATOM     24  C   LIG    1        1.833  -0.773   0.879  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  31
ATOM     25  C   LIG    1        5.383  -1.384  -2.946  0.00  0.00    +0.152 C 
ATOM     26  N   LIG    1        5.141  -0.360  -1.941  0.00  0.00    -0.318 N 
ATOM     27  C   LIG    1        6.102   0.628  -1.736  0.00  0.00    +0.251 A 
ATOM     28  O   LIG    1        7.175   0.707  -2.327  0.00  0.00    -0.268 OA
ATOM     29  C   LIG    1        5.761   1.651  -0.714  0.00  0.00    +0.071 A 
ATOM     30  C   LIG    1        4.604   1.580  -0.045  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1        3.648   0.508  -0.280  0.00  0.00    +0.017 A 
ATOM     32  C   LIG    1        3.950  -0.400  -1.229  0.00  0.00    +0.098 A 
ENDBRANCH   1  31
TORSDOF 1