REMARK  Name = BDB033051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.145   1.245  -1.362  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        1.305   0.269  -1.149  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        2.456   1.135  -1.060  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        2.105   2.420  -0.683  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        2.867   3.330  -0.401  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.601   2.497  -0.612  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.695  -0.386  -1.435  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1       -1.150   0.767  -0.903  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -1.804   1.457  -0.553  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -1.088  -1.116  -2.209  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -5.535  -0.163   1.832  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -4.969  -0.576   0.505  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1       -3.639  -0.276   0.177  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1       -3.100  -0.693  -1.049  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -3.884  -1.444  -1.932  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -5.203  -1.756  -1.604  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.742  -1.325  -0.391  0.00  0.00    +0.003 A 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1        3.812   0.626  -1.009  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.130  -0.019   0.318  0.00  0.00    -0.029 A 
ATOM     20  C   LIG    1        4.064  -1.412   0.472  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        4.337  -2.006   1.710  0.00  0.00    +0.060 A 
ATOM     22 CL   LIG    1        4.234  -3.728   1.812  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        4.675  -1.208   2.808  0.00  0.00    +0.059 A 
ATOM     24 CL   LIG    1        5.021  -1.871   4.365  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        4.736   0.180   2.663  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        4.463   0.771   1.427  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4