REMARK  Name = BDB058243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.195   0.229   0.530  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        4.899  -0.566  -0.580  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        3.599  -1.022  -0.749  0.00  0.00    -0.038 A 
ATOM      4  C   LIG    1        3.084  -1.917  -1.834  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1        1.564  -1.719  -1.711  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1        1.300  -1.363  -0.240  0.00  0.00    +0.216 C 
ATOM      7  C   LIG    1        0.052  -0.543  -0.054  0.00  0.00    +0.273 C 
ATOM      8  O   LIG    1       -0.175   0.574  -0.493  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1       -0.779  -1.294   0.711  0.00  0.00    -0.195 N 
ATOM     10  C   LIG    1       -0.204  -2.473   1.028  0.00  0.00    +0.411 C 
ATOM     11  O   LIG    1       -0.713  -3.367   1.686  0.00  0.00    -0.226 OA
ATOM     12  O   LIG    1        1.065  -2.539   0.534  0.00  0.00    -0.429 OA
ATOM     13  C   LIG    1        2.590  -0.712   0.169  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        2.868   0.069   1.279  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        4.173   0.544   1.449  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  20
ATOM     16  C   LIG    1        9.982   1.187   0.012  0.00  0.00    +0.129 C 
ATOM     17  N   LIG    1        8.673   1.284   0.611  0.00  0.00    -0.302 N 
ATOM     18  H   LIG    1        8.383   2.209   0.891  0.00  0.00    +0.150 HD
ATOM     19  C   LIG    1        7.650   0.486   0.126  0.00  0.00    +0.304 C 
ATOM     20  N   LIG    1        6.474   0.762   0.789  0.00  0.00    -0.269 N 
ATOM     21  H   LIG    1        6.579   1.292   1.640  0.00  0.00    +0.156 HD
ATOM     22  O   LIG    1        7.825  -0.342  -0.757  0.00  0.00    -0.253 OA
ENDBRANCH   1  20
BRANCH   9  23
ATOM     23  C   LIG    1       -2.154  -0.958   1.004  0.00  0.00    +0.215 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.042  -1.462  -0.143  0.00  0.00    +0.234 C 
ATOM     25  N   LIG    1       -4.413  -1.238  -0.039  0.00  0.00    -0.296 N 
ATOM     26  C   LIG    1       -5.062  -0.624   1.112  0.00  0.00    +0.143 C 
ATOM     27  C   LIG    1       -5.118   0.884   1.016  0.00  0.00    -0.027 A 
ATOM     28  C   LIG    1       -5.394   1.583  -0.180  0.00  0.00    -0.043 A 
ATOM     29  C   LIG    1       -5.399   2.992  -0.153  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.182   3.698   1.029  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.950   3.010   2.211  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.637   0.927  -1.529  0.00  0.00    +0.037 C 
ATOM     33  C   LIG    1       -6.276  -0.461  -1.502  0.00  0.00    +0.024 C 
ATOM     34  C   LIG    1       -4.921   1.617   2.205  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -5.269  -1.562  -1.174  0.00  0.00    +0.108 C 
ATOM     36  O   LIG    1       -2.548  -2.028  -1.123  0.00  0.00    -0.274 OA
ENDBRANCH  23  24
ENDBRANCH   9  23
TORSDOF 3