REMARK  Name = BDB021857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.325  -0.695   0.093  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.035   0.502   0.264  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.405   0.341   0.259  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1       -3.733  -0.476  -0.237  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.478   1.589   0.384  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.379   1.315   0.556  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -5.713   1.044   0.247  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1       -6.749   1.879   0.495  0.00  0.00    -0.242 NA
ATOM      9  C   LIG    1       -6.434   3.050   1.084  0.00  0.00    +0.129 A 
ATOM     10 CL   LIG    1       -7.768   4.084   1.383  0.00  0.00    -0.062 Cl
ATOM     11  C   LIG    1       -5.150   3.422   1.442  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1       -4.108   2.534   1.175  0.00  0.00    +0.028 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     13  N   LIG    1        2.817   0.492  -0.201  0.00  0.00    -0.300 NA
ATOM     14  C   LIG    1        2.125   0.103  -1.438  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        0.605   0.194  -1.278  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        0.142  -0.661  -0.092  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1        0.903  -0.268   1.176  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        2.413  -0.340   0.938  0.00  0.00    +0.086 C 
BRANCH  13  19
ATOM     19  C   LIG    1        4.280   0.619  -0.394  0.00  0.00    +0.054 C 
ATOM     20  C   LIG    1        5.026  -0.721  -0.460  0.00  0.00    +0.024 C 
BRANCH  19  21
ATOM     21  C   LIG    1        4.867   1.553   0.692  0.00  0.00    +0.018 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.806   2.984   1.440  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.316   1.971   0.416  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  16
BRANCH   1  24
ATOM     24  C   LIG    1       -1.889  -1.980   0.530  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.741  -2.664  -0.516  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -3.896  -3.358  -0.121  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.698  -4.001  -1.066  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.350  -3.967  -2.414  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.197  -3.297  -2.817  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.394  -2.654  -1.874  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7