REMARK  Name = BDB053102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.101  -1.677   2.772  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.397  -1.332   1.718  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.086  -0.227   0.947  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.901  -0.135  -0.250  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1       -1.774  -1.358  -0.144  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -2.752  -1.840  -1.002  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -3.416  -3.021  -0.653  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -3.097  -3.706   0.535  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.108  -3.222   1.391  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.468  -2.054   1.024  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.692   1.164  -0.351  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -1.636   1.964  -1.507  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -2.364   3.154  -1.596  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1       -3.161   3.559  -0.529  0.00  0.00    +0.018 A 
ATOM     15 BR   LIG    1       -4.145   5.168  -0.649  0.00  0.00    -0.050 Br
ATOM     16  C   LIG    1       -3.238   2.785   0.626  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -2.510   1.595   0.713  0.00  0.00    +0.009 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1       -0.044  -0.325  -1.358  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1        0.680  -0.870  -1.009  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1        0.919   0.751   1.320  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.255   0.475   0.669  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        2.687   1.241  -0.425  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        3.913   0.974  -1.038  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        4.715  -0.068  -0.555  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1        4.296  -0.844   0.532  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        3.067  -0.570   1.138  0.00  0.00    +0.007 A 
BRANCH  24  27
ATOM     27  N   LIG    1        6.005  -0.350  -1.197  0.00  0.00    +0.056 N 
ATOM     28  O   LIG    1        6.676  -1.294  -0.754  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1        6.347   0.370  -2.147  0.00  0.00    -0.126 OA
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5