REMARK  Name = BDB064030
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.213  -3.929  -0.262  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.072  -2.746  -0.030  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.105  -1.681   0.080  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.407  -1.939  -0.092  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.495  -0.485   0.394  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.771  -0.770   0.462  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -1.076  -2.062   0.208  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.974  -2.505   0.266  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.515  -0.975   0.010  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.393   0.354  -0.422  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.507   1.208  -0.325  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.733   0.768   0.176  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.739   1.721   0.211  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.278   2.858  -0.256  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.850  -0.572   0.592  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.643   2.870  -0.762  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.745  -1.428   0.499  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.718   0.152   0.766  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1       -1.312   1.083   0.840  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.094   0.135   0.283  0.00  0.00    +0.083 C 
ATOM     21  C   LIG    1       -3.135   0.456  -1.224  0.00  0.00    +0.091 C 
ATOM     22  S   LIG    1       -4.748   1.027  -1.861  0.00  0.00    -0.159 S 
ATOM     23  C   LIG    1       -5.818   0.458  -0.515  0.00  0.00    +0.069 C 
ATOM     24  C   LIG    1       -5.420   1.051   0.832  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.914   1.137   1.102  0.00  0.00    +0.024 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3