REMARK  Name = BDB002230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.012  -2.310  -0.119  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1       -3.220  -1.049   0.041  0.00  0.00    +0.020 A 
ATOM      3  N   LIG    1       -3.896   0.060   0.507  0.00  0.00    -0.324 N 
ATOM      4  H   LIG    1       -4.883  -0.005   0.735  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1       -3.319   1.301   0.720  0.00  0.00    +0.283 A 
ATOM      6  O   LIG    1       -3.975   2.237   1.158  0.00  0.00    -0.265 OA
ATOM      7  C   LIG    1       -1.888   1.375   0.390  0.00  0.00    +0.232 A 
ATOM      8  C   LIG    1       -1.209   0.303  -0.044  0.00  0.00    +0.169 A 
ATOM      9  C   LIG    1       -1.908  -0.955  -0.240  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1       -1.218   2.628   0.481  0.00  0.00    +0.065 N 
ATOM     11  O   LIG    1       -1.524   3.492  -0.350  0.00  0.00    -0.126 OA
ATOM     12  O   LIG    1       -0.338   2.744   1.346  0.00  0.00    -0.126 OA
ENDBRANCH   7  10
BRANCH   8  13
ATOM     13  O   LIG    1        0.142   0.323  -0.417  0.00  0.00    -0.420 OA
BRANCH  13  14
ATOM     14  C   LIG    1        0.967  -0.203   0.541  0.00  0.00    +0.345 C 
ATOM     15  O   LIG    1        0.618  -0.739   1.583  0.00  0.00    -0.245 OA
BRANCH  14  16
ATOM     16  C   LIG    1        2.390  -0.068   0.125  0.00  0.00    +0.059 A 
ATOM     17  C   LIG    1        3.367  -0.703   0.904  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        4.716  -0.609   0.558  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.097   0.121  -0.566  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.133   0.761  -1.344  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.781   0.669  -1.002  0.00  0.00    +0.015 A 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   8  13
TORSDOF 4