REMARK  Name = BDB033752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.230  -0.066   0.806  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1        1.506   0.042   0.418  0.00  0.00    -0.198 NA
ATOM      3  C   LIG    1        2.495  -0.308   1.274  0.00  0.00    +0.144 A 
ATOM      4  C   LIG    1        2.184  -0.748   2.554  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        0.844  -0.832   2.862  0.00  0.00    +0.136 A 
ATOM      6  N   LIG    1       -0.145  -0.512   2.008  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        3.820  -0.174   0.830  0.00  0.00    -0.314 N 
ATOM      8  C   LIG    1        3.996   0.725  -0.320  0.00  0.00    +0.106 C 
ATOM      9  C   LIG    1        5.486   0.883  -0.613  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1        6.141  -0.453  -0.964  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1        5.318  -1.652  -0.497  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1        4.644  -1.397   0.850  0.00  0.00    +0.106 C 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     13  N   LIG    1       -0.714   0.316  -0.137  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1       -0.216   0.320  -1.022  0.00  0.00    +0.149 HD
BRANCH  13  18
ATOM     15  N   LIG    1       -4.787   0.351  -0.828  0.00  0.00    -0.181 NA
ATOM     16  C   LIG    1       -4.039  -0.733  -1.532  0.00  0.00    +0.111 C 
ATOM     17  C   LIG    1       -2.542  -0.467  -1.543  0.00  0.00    +0.039 C 
ATOM     18  C   LIG    1       -1.984  -0.407  -0.114  0.00  0.00    +0.076 C 
ATOM     19  C   LIG    1       -2.974   0.270   0.846  0.00  0.00    +0.039 C 
ATOM     20  C   LIG    1       -3.953   1.166   0.100  0.00  0.00    +0.111 C 
BRANCH  15  22
ATOM     21  C   LIG    1       -6.955   1.982  -0.634  0.00  0.00    +0.215 C 
ATOM     22  S   LIG    1       -5.867   1.220  -1.821  0.00  0.00    +0.029 S 
ATOM     23  O   LIG    1       -6.645   0.255  -2.570  0.00  0.00    -0.158 OA
ATOM     24  O   LIG    1       -5.109   2.252  -2.494  0.00  0.00    -0.158 OA
ENDBRANCH  15  22
ENDBRANCH  13  18
ENDBRANCH   1  13
BRANCH   4  25
ATOM     25  C   LIG    1        3.151  -1.066   3.550  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1        3.909  -1.360   4.379  0.00  0.00    -0.191 NA
ENDBRANCH   4  25
TORSDOF 5