REMARK  Name = BDB002224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.285  -3.266   0.218  0.00  0.00    -0.251 OA
ATOM      2  C   LIG    1       -3.433  -2.408   0.040  0.00  0.00    +0.318 C 
ATOM      3  N   LIG    1       -3.524  -1.019   0.046  0.00  0.00    -0.189 N 
ATOM      4  C   LIG    1       -2.267  -0.473  -0.200  0.00  0.00    +0.273 C 
ATOM      5  O   LIG    1       -1.911   0.692  -0.244  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.345  -1.648  -0.396  0.00  0.00    +0.102 C 
ATOM      7  C   LIG    1       -0.037  -1.735  -0.659  0.00  0.00    +0.075 C 
ATOM      8  N   LIG    1       -2.120  -2.755  -0.223  0.00  0.00    -0.264 N 
ATOM      9  H   LIG    1       -1.823  -3.718  -0.276  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1       -4.722  -0.270   0.284  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -5.952  -0.902   0.537  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -7.125  -0.172   0.768  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -7.101   1.216   0.752  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.902   1.870   0.504  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.731   1.136   0.274  0.00  0.00    +0.024 A 
ENDBRANCH   3  10
BRANCH   7  16
ATOM     16  C   LIG    1        0.867  -0.660  -0.870  0.00  0.00    +0.132 A 
ATOM     17  O   LIG    1        2.188  -0.769  -0.490  0.00  0.00    -0.442 OA
ATOM     18  C   LIG    1        2.849   0.374  -0.816  0.00  0.00    +0.189 A 
ATOM     19  C   LIG    1        1.980   1.232  -1.445  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1        0.727   0.573  -1.492  0.00  0.00    +0.051 A 
BRANCH  18  21
ATOM     21  N   LIG    1        4.161   0.452  -0.498  0.00  0.00    -0.297 N 
ATOM     22  C   LIG    1        4.825  -0.641   0.221  0.00  0.00    +0.136 C 
ATOM     23  C   LIG    1        6.350  -0.483   0.116  0.00  0.00    +0.179 C 
ATOM     24  O   LIG    1        6.849   0.755   0.645  0.00  0.00    -0.377 OA
ATOM     25  C   LIG    1        5.891   1.823   0.594  0.00  0.00    +0.179 C 
ATOM     26  C   LIG    1        4.898   1.716  -0.576  0.00  0.00    +0.136 C 
ENDBRANCH  18  21
ENDBRANCH   7  16
TORSDOF 3