REMARK  Name = BDB022292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.251   1.034  -0.602  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.061   1.546  -0.120  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.144   2.813   0.486  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.387   3.260   0.962  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.536   2.477   0.823  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.485   1.235   0.190  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -1.024   3.626   0.587  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -0.949   4.945   1.194  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -2.241   3.214   0.071  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -3.270   3.887   0.090  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        1.244   0.790  -0.276  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -2.302   1.861  -0.519  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.295  -0.273  -1.093  0.00  0.00    -0.334 N 
ATOM     14  H   LIG    1       -0.729  -0.890  -0.509  0.00  0.00    +0.147 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -2.126  -2.117  -2.455  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1       -2.518  -1.006  -1.481  0.00  0.00    +0.135 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.213  -1.615  -0.263  0.00  0.00    +0.149 A 
ATOM     18  N   LIG    1       -4.553  -1.478  -0.167  0.00  0.00    -0.237 NA
ATOM     19  C   LIG    1       -5.137  -2.010   0.929  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1       -4.443  -2.671   1.915  0.00  0.00    +0.054 A 
ATOM     21 BR   LIG    1       -5.293  -3.397   3.422  0.00  0.00    -0.047 Br
ATOM     22  C   LIG    1       -3.084  -2.769   1.724  0.00  0.00    +0.129 A 
ATOM     23  N   LIG    1       -2.442  -2.257   0.651  0.00  0.00    -0.237 NA
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  24
ATOM     24  N   LIG    1        3.662   0.467   0.101  0.00  0.00    -0.313 N 
ATOM     25  H   LIG    1        4.501   1.041   0.038  0.00  0.00    +0.152 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.861  -0.927  -0.028  0.00  0.00    +0.053 A 
ATOM     27  C   LIG    1        4.964  -1.448  -0.730  0.00  0.00    +0.110 A 
ATOM     28  C   LIG    1        5.069  -2.828  -0.854  0.00  0.00    +0.148 A 
ATOM     29 CL   LIG    1        6.364  -3.604  -1.684  0.00  0.00    -0.061 Cl
ATOM     30  N   LIG    1        4.181  -3.711  -0.345  0.00  0.00    -0.242 NA
ATOM     31  C   LIG    1        3.133  -3.196   0.323  0.00  0.00    +0.114 A 
ATOM     32  C   LIG    1        2.934  -1.837   0.501  0.00  0.00    +0.044 A 
BRANCH  27  33
ATOM     33  C   LIG    1        5.948  -0.586  -1.301  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1        6.730   0.160  -1.726  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 6