REMARK  Name = BDB015763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.528  -0.243   0.209  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        0.958  -1.397  -0.159  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1       -0.373  -1.400  -0.310  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.181  -0.349  -0.105  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.590   0.800   0.262  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.776   0.893   0.445  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.512   1.940   0.502  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.155   3.195   0.164  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.994   4.284   0.361  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.523   5.603  -0.032  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.269   4.155   0.907  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.049   5.082   1.110  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.683   2.773   1.254  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.847   1.747   1.053  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.919  -0.166   0.422  0.00  0.00    -0.329 N 
ATOM     16  H   LIG    1        3.288   0.623  -0.101  0.00  0.00    +0.147 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.645  -1.403   0.133  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.129  -1.241   0.476  0.00  0.00    +0.018 C 
BRANCH  18  20
ATOM     19  C   LIG    1        7.356  -0.254  -0.170  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1        5.872  -0.323  -0.497  0.00  0.00    -0.002 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  21
ATOM     21  O   LIG    1       -0.913  -2.626  -0.684  0.00  0.00    -0.422 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.270  -2.639  -0.916  0.00  0.00    +0.153 A 
ATOM     23  C   LIG    1       -2.781  -2.275  -2.169  0.00  0.00    +0.084 A 
ATOM     24 CL   LIG    1       -1.748  -1.790  -3.466  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1       -4.157  -2.310  -2.396  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1       -5.021  -2.719  -1.380  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.510  -3.106  -0.139  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -3.129  -3.086   0.104  0.00  0.00    -0.007 A 
ATOM     29  C   LIG    1       -2.596  -3.494   1.447  0.00  0.00    +0.047 C 
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7