REMARK  Name = BDB061385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.047   3.933  -1.387  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1       -1.802   3.189  -1.008  0.00  0.00    +0.132 A 
ATOM      3  N   LIG    1       -0.666   3.909  -0.921  0.00  0.00    -0.215 NA
ATOM      4  C   LIG    1        0.395   3.153  -0.608  0.00  0.00    +0.146 A 
ATOM      5  C   LIG    1        0.412   1.787  -0.385  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        1.767   1.426  -0.095  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        2.515   2.590  -0.152  0.00  0.00    +0.093 A 
ATOM      8  C   LIG    1       -0.822   1.145  -0.509  0.00  0.00    +0.228 A 
ATOM      9  N   LIG    1        1.669   3.626  -0.459  0.00  0.00    -0.345 N 
ATOM     10  H   LIG    1        1.925   4.596  -0.569  0.00  0.00    +0.167 HD
ATOM     11  N   LIG    1       -1.927   1.856  -0.825  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        2.347   0.125   0.204  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1        1.740  -0.729   1.128  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1        2.285  -1.987   1.355  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1        3.396  -2.409   0.731  0.00  0.00    -0.241 NA
ATOM     16  C   LIG    1        3.982  -1.568  -0.146  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1        3.502  -0.305  -0.444  0.00  0.00    +0.028 A 
BRANCH  14  18
ATOM     18  N   LIG    1        1.661  -2.870   2.244  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1        0.714  -3.054   1.919  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1        1.594  -2.439   3.160  0.00  0.00    +0.144 HD
ENDBRANCH  14  18
ENDBRANCH   6  12
BRANCH   8  21
ATOM     21  O   LIG    1       -0.906  -0.213  -0.312  0.00  0.00    -0.471 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.236  -0.727  -0.326  0.00  0.00    +0.266 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.222  -2.165   0.122  0.00  0.00    -0.003 A 
ATOM     24  C   LIG    1       -3.100  -2.719   1.037  0.00  0.00    +0.052 A 
ATOM     25  S   LIG    1       -2.791  -4.374   1.338  0.00  0.00    -0.105 S 
ATOM     26  C   LIG    1       -1.479  -4.385   0.245  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1       -1.284  -3.152  -0.337  0.00  0.00    +0.014 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 5