REMARK  Name = BDB015807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.607  -0.293  -0.092  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        2.063   0.923   0.120  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.761   1.067  -0.167  0.00  0.00    +0.326 A 
ATOM      4  O   LIG    1        0.243   2.323   0.126  0.00  0.00    -0.423 OA
ATOM      5  C   LIG    1       -1.120   2.498   0.148  0.00  0.00    +0.135 A 
ATOM      6  C   LIG    1       -2.017   1.582   0.700  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1       -3.392   1.805   0.619  0.00  0.00    +0.124 A 
ATOM      8  O   LIG    1       -4.170   0.766   1.053  0.00  0.00    -0.488 OA
ATOM      9  C   LIG    1       -5.460   0.665   0.463  0.00  0.00    +0.256 C 
ATOM     10  C   LIG    1       -5.915  -0.764   0.318  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -5.250  -1.928   0.421  0.00  0.00    -0.026 C 
ATOM     12  C   LIG    1       -3.806  -2.171   0.763  0.00  0.00    +0.051 C 
ATOM     13  C   LIG    1       -2.871  -1.983  -0.426  0.00  0.00    +0.192 C 
ATOM     14  S   LIG    1       -1.275  -2.721  -0.082  0.00  0.00    +0.045 S 
ATOM     15  N   LIG    1       -0.314  -2.090  -1.320  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        0.108  -2.858  -1.839  0.00  0.00    +0.175 HD
ATOM     17  C   LIG    1        0.568  -1.062  -0.906  0.00  0.00    +0.145 A 
ATOM     18  O   LIG    1       -1.368  -4.136  -0.382  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1       -0.774  -2.274   1.199  0.00  0.00    -0.155 OA
ATOM     20  C   LIG    1       -3.866   3.016   0.114  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -2.967   3.969  -0.371  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.597   3.705  -0.365  0.00  0.00    +0.046 A 
ATOM     23  N   LIG    1       -0.015   0.121  -0.715  0.00  0.00    -0.178 NA
ATOM     24  C   LIG    1        1.880  -1.343  -0.611  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  31
ATOM     25  C   LIG    1        7.063   1.665   0.062  0.00  0.00    +0.152 C 
ATOM     26  N   LIG    1        6.234   0.503   0.341  0.00  0.00    -0.318 N 
ATOM     27  C   LIG    1        6.820  -0.635   0.884  0.00  0.00    +0.251 A 
ATOM     28  O   LIG    1        8.013  -0.766   1.145  0.00  0.00    -0.268 OA
ATOM     29  C   LIG    1        5.893  -1.763   1.162  0.00  0.00    +0.071 A 
ATOM     30  C   LIG    1        4.590  -1.660   0.869  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1        4.038  -0.455   0.266  0.00  0.00    +0.017 A 
ATOM     32  C   LIG    1        4.879   0.575   0.048  0.00  0.00    +0.098 A 
ENDBRANCH   1  31
TORSDOF 1