REMARK  Name = BDB015494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.584   0.868  -0.343  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.008   2.049  -0.571  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.329   2.043  -0.536  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.094   0.966  -0.298  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.462  -0.207  -0.098  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.910  -0.309  -0.135  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.321  -1.393   0.151  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.525  -1.455  -0.448  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.387  -2.526  -0.275  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -4.660  -2.503  -0.977  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.073  -3.618   0.531  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -3.803  -4.594   0.689  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -1.751  -3.550   1.233  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -1.411  -4.689   2.140  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -0.951  -2.489   1.035  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.997   0.951  -0.446  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        3.204   1.924  -0.685  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.852   0.550   0.955  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        3.991   1.772   1.716  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.297  -0.647   1.549  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        5.453   0.141   0.271  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.408  -1.058  -0.668  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.764  -2.583  -2.147  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.799  -1.387  -1.208  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1       -0.923   3.281  -0.758  0.00  0.00    -0.422 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.299   3.292  -0.796  0.00  0.00    +0.153 A 
ATOM     27  C   LIG    1       -3.009   3.742   0.333  0.00  0.00    -0.004 A 
ATOM     28  C   LIG    1       -4.412   3.766   0.279  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -5.091   3.378  -0.877  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -4.377   2.966  -2.001  0.00  0.00    +0.024 A 
ATOM     31  C   LIG    1       -2.983   2.929  -1.966  0.00  0.00    +0.084 A 
ATOM     32 CL   LIG    1       -2.144   2.443  -3.397  0.00  0.00    -0.080 Cl
BRANCH  27  33
ATOM     33  C   LIG    1       -2.312   4.174   1.601  0.00  0.00    +0.035 C 
ATOM     34  C   LIG    1       -2.260   3.062   2.638  0.00  0.00    +0.009 C 
ENDBRANCH  27  33
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 9