REMARK  Name = BDB022289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.652   1.327  -0.216  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.165   1.407  -0.207  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.470   2.663  -0.167  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        1.873   2.719  -0.121  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        2.645   1.554  -0.138  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.043   0.302  -0.225  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -0.314   3.855  -0.203  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1        0.330   5.159  -0.182  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -1.692   3.812  -0.317  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -2.418   4.801  -0.403  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.642   0.248  -0.259  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -2.328   2.480  -0.308  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.250   0.078  -0.138  0.00  0.00    -0.334 N 
ATOM     14  H   LIG    1       -1.690  -0.659   0.286  0.00  0.00    +0.147 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -4.183   0.044   1.387  0.00  0.00    +0.036 C 
ATOM     16  C   LIG    1       -3.681  -0.249  -0.026  0.00  0.00    +0.135 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.908  -1.734  -0.329  0.00  0.00    +0.149 A 
ATOM     18  N   LIG    1       -5.050  -2.083  -0.959  0.00  0.00    -0.238 NA
ATOM     19  C   LIG    1       -5.226  -3.396  -1.198  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -4.325  -4.365  -0.827  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -3.200  -3.914  -0.178  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -2.964  -2.616   0.089  0.00  0.00    -0.238 NA
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        2.770  -0.904  -0.228  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1        2.286  -1.651  -0.725  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.050  -1.232   0.274  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        4.834  -2.238  -0.322  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        6.100  -2.476   0.198  0.00  0.00    +0.148 A 
ATOM     28 CL   LIG    1        7.167  -3.676  -0.429  0.00  0.00    -0.061 Cl
ATOM     29  N   LIG    1        6.636  -1.806   1.243  0.00  0.00    -0.242 NA
ATOM     30  C   LIG    1        5.873  -0.849   1.801  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1        4.600  -0.531   1.356  0.00  0.00    +0.044 A 
BRANCH  26  32
ATOM     32  C   LIG    1        4.345  -2.997  -1.428  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1        3.894  -3.600  -2.311  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6