REMARK  Name = BDB021848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.390  -0.276  -0.815  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.081   0.929  -0.655  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.453   0.796  -0.674  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1       -3.812  -0.120  -0.438  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.506   1.998  -0.482  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.426   1.825  -0.660  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -5.765   1.472  -0.402  0.00  0.00    +0.062 A 
ATOM      8 CL   LIG    1       -6.209  -0.172  -0.090  0.00  0.00    -0.082 Cl
ATOM      9  C   LIG    1       -6.774   2.439  -0.388  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -6.458   3.773  -0.638  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -5.137   4.128  -0.905  0.00  0.00    +0.020 A 
ATOM     12 BR   LIG    1       -4.716   5.938  -1.260  0.00  0.00    -0.050 Br
ATOM     13  C   LIG    1       -4.124   3.165  -0.921  0.00  0.00    +0.040 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        2.806   0.670  -0.136  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.049  -0.033   0.915  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.534   0.133   0.768  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.074  -0.333  -0.614  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        0.861   0.405  -1.695  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.364   0.224  -1.475  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        4.291   0.557   0.005  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        4.963   1.676  -0.814  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.792   0.625   1.477  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.965  -0.676   1.120  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.311   0.573   1.690  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1       -1.999  -1.464  -1.423  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.381  -2.548  -0.438  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -2.612  -3.846  -0.924  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.000  -4.874  -0.062  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.170  -4.619   1.296  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.955  -3.336   1.792  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.567  -2.306   0.931  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7