REMARK  Name = BDB030742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.144  -4.371   2.046  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.630  -3.213   1.309  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1        0.286  -2.267   0.781  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.197  -1.140   0.098  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.741  -0.158  -0.303  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.124  -0.300  -0.111  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.575  -1.450   0.526  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.663  -0.984  -0.160  0.00  0.00    +0.085 A 
ATOM      9  N   LIG    1       -2.038   0.052  -1.018  0.00  0.00    -0.332 N 
ATOM     10  H   LIG    1       -1.301   0.368  -1.640  0.00  0.00    +0.147 HD
ATOM     11  C   LIG    1       -3.079   1.053  -0.778  0.00  0.00    +0.061 C 
ATOM     12  C   LIG    1       -3.479   1.744  -2.097  0.00  0.00    +0.185 C 
ATOM     13  O   LIG    1       -3.801   3.113  -1.793  0.00  0.00    -0.378 OA
ATOM     14  C   LIG    1       -3.419   3.379  -0.438  0.00  0.00    +0.162 C 
ATOM     15  C   LIG    1       -4.315   0.458  -0.088  0.00  0.00    +0.069 C 
ATOM     16  C   LIG    1       -4.569  -0.961  -0.567  0.00  0.00    +0.231 C 
ATOM     17  O   LIG    1       -3.894  -1.906   0.252  0.00  0.00    -0.485 OA
ATOM     18  C   LIG    1       -2.520   2.241  -0.007  0.00  0.00    +0.056 C 
ATOM     19  C   LIG    1       -2.518  -1.881   0.393  0.00  0.00    +0.207 A 
ATOM     20  C   LIG    1        1.671  -2.418   0.969  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -2.000  -3.027   1.225  0.00  0.00    +0.295 A 
ATOM     22  O   LIG    1       -2.804  -3.778   1.784  0.00  0.00    -0.264 OA
ENDROOT
BRANCH   6  23
ATOM     23  N   LIG    1        2.978   0.745  -0.512  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1        2.630   1.245  -1.329  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.272   1.117  -0.079  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        5.205   1.688  -0.964  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        6.471   1.990  -0.477  0.00  0.00    +0.148 A 
ATOM     28 CL   LIG    1        7.711   2.691  -1.446  0.00  0.00    -0.061 Cl
ATOM     29  N   LIG    1        6.872   1.771   0.795  0.00  0.00    -0.242 NA
ATOM     30  C   LIG    1        5.966   1.226   1.628  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1        4.681   0.885   1.241  0.00  0.00    +0.044 A 
BRANCH  26  32
ATOM     32  C   LIG    1        4.863   1.950  -2.325  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1        4.517   2.156  -3.414  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 3