REMARK  Name = BDB002178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.046  -0.479  -0.297  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -0.903  -0.652  -1.385  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -2.280  -0.420  -1.227  0.00  0.00    +0.152 A 
ATOM      4  C   LIG    1       -2.823  -0.020   0.007  0.00  0.00    +0.095 A 
ATOM      5  C   LIG    1       -1.946   0.114   1.099  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1       -0.571  -0.115   0.949  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -4.204   0.285   0.173  0.00  0.00    -0.238 N 
ATOM      8  N   LIG    1       -5.004   0.499  -0.891  0.00  0.00    -0.175 NA
ATOM      9  C   LIG    1       -6.199   0.793  -0.380  0.00  0.00    +0.135 A 
ATOM     10  C   LIG    1       -6.189   0.800   1.019  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -4.894   0.480   1.353  0.00  0.00    +0.114 A 
ENDBRANCH   4   7
BRANCH   1  13
ATOM     12  O   LIG    1        1.726  -1.650  -1.246  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        1.407  -0.745  -0.486  0.00  0.00    +0.248 C 
ATOM     14  N   LIG    1        2.250   0.102   0.208  0.00  0.00    -0.282 N 
ATOM     15  H   LIG    1        1.828   0.886   0.687  0.00  0.00    +0.155 HD
BRANCH  14  16
ATOM     16  C   LIG    1        3.660   0.054   0.248  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        4.315   1.075   0.952  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        5.710   1.097   1.044  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        6.459   0.096   0.433  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        8.175   0.120   0.546  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        5.822  -0.925  -0.266  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        4.425  -0.946  -0.356  0.00  0.00    +0.025 A 
ENDBRANCH  14  16
ENDBRANCH   1  13
BRANCH   3  23
ATOM     23  N   LIG    1       -3.101  -0.732  -2.383  0.00  0.00    +0.059 N 
ATOM     24  O   LIG    1       -3.733  -1.797  -2.345  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1       -3.011   0.034  -3.353  0.00  0.00    -0.126 OA
ENDBRANCH   3  23
TORSDOF 4