REMARK  Name = BDB028276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.135   1.336  -0.803  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.063   0.960   0.153  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.271   1.265   1.493  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.303   0.949   2.451  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.121   0.316   2.060  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.110  -0.017   0.715  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.529   1.913   1.897  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -3.752   2.205   3.066  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.429   2.165   0.890  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.304   2.610   1.150  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.878   0.316  -0.232  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -4.251   1.895  -0.431  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.350  -0.697   0.307  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.611  -0.200   0.677  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        3.763  -0.892   0.257  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        3.571  -2.036  -0.509  0.00  0.00    +0.140 A 
ATOM     17  N   LIG    1        4.800  -2.556  -0.814  0.00  0.00    -0.344 N 
ATOM     18  H   LIG    1        4.930  -3.394  -1.363  0.00  0.00    +0.167 HD
ATOM     19  C   LIG    1        5.783  -1.774  -0.265  0.00  0.00    +0.105 A 
ATOM     20  N   LIG    1        2.404  -2.572  -0.902  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        5.168  -0.737   0.402  0.00  0.00    +0.068 A 
ATOM     22 CL   LIG    1        5.941   0.513   1.254  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1        1.330  -1.865  -0.465  0.00  0.00    +0.121 A 
ENDBRANCH   6  13
BRANCH   1  24
ATOM     24  C   LIG    1       -2.958   1.061  -2.293  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.178  -0.364  -2.550  0.00  0.00    -0.325 NA
ATOM     26  H   LIG    1       -3.166  -0.521  -3.558  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -4.129  -0.596  -2.254  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 3