REMARK  Name = BDB062302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.340   4.738  -1.186  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.307   3.472  -0.872  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1        0.474   2.306  -0.653  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.159   1.101  -0.314  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.658  -0.006   0.020  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.060   0.039  -0.036  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.656   1.228  -0.437  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.651   1.018  -0.287  0.00  0.00    +0.084 A 
ATOM      9  N   LIG    1       -2.211  -0.252  -0.140  0.00  0.00    -0.337 N 
ATOM     10  H   LIG    1       -1.592  -1.019  -0.373  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1       -3.199  -0.618   0.864  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1       -4.359   0.374   0.942  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1       -4.574   1.097  -0.377  0.00  0.00    +0.231 C 
ATOM     14  O   LIG    1       -3.753   2.255  -0.474  0.00  0.00    -0.485 OA
ATOM     15  C   LIG    1       -2.372   2.153  -0.459  0.00  0.00    +0.207 A 
ATOM     16  C   LIG    1        1.877   2.350  -0.728  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -1.683   3.470  -0.708  0.00  0.00    +0.295 A 
ATOM     18  O   LIG    1       -2.359   4.500  -0.785  0.00  0.00    -0.264 OA
ENDROOT
BRANCH  11  19
ATOM     19  C   LIG    1       -3.696  -1.998   0.504  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -4.191  -2.942   1.571  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -2.890  -3.221   0.872  0.00  0.00    +0.005 C 
ENDBRANCH  11  19
BRANCH   6  22
ATOM     22  N   LIG    1        2.789  -1.129   0.261  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        2.329  -1.711   0.958  0.00  0.00    +0.152 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.085  -1.548  -0.123  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        4.881  -2.338   0.727  0.00  0.00    +0.110 A 
ATOM     26  C   LIG    1        6.159  -2.678   0.300  0.00  0.00    +0.148 A 
ATOM     27 CL   LIG    1        7.242  -3.638   1.236  0.00  0.00    -0.061 Cl
ATOM     28  N   LIG    1        6.694  -2.300  -0.883  0.00  0.00    -0.242 NA
ATOM     29  C   LIG    1        5.918  -1.548  -1.683  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1        4.633  -1.152  -1.350  0.00  0.00    +0.044 A 
BRANCH  25  31
ATOM     31  C   LIG    1        4.392  -2.780   1.994  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1        3.931  -3.125   3.002  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 4