REMARK  Name = BDB053096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.087   2.341   1.822  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.410   1.818   0.958  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.401   0.494   0.562  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1        0.551   0.237  -0.503  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1        1.152   1.597  -0.739  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        2.115   2.009  -1.648  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        2.489   3.357  -1.653  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        1.901   4.275  -0.763  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        0.926   3.858   0.145  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.575   2.522   0.130  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.583  -0.829  -0.154  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.781  -1.951  -0.980  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.727  -2.927  -0.654  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        3.490  -2.794   0.503  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        4.654  -3.996   0.904  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        3.315  -1.694   1.337  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        2.369  -0.718   1.011  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   4  18
ATOM     18  O   LIG    1       -0.186  -0.095  -1.663  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1       -1.066   0.286  -1.507  0.00  0.00    +0.213 HD
ENDBRANCH   4  18
BRANCH   3  20
ATOM     20  C   LIG    1       -1.220  -0.531   1.185  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.462  -0.835   0.385  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1       -2.548  -2.006  -0.382  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -3.690  -2.262  -1.141  0.00  0.00    +0.018 A 
ATOM     24 BR   LIG    1       -3.791  -3.842  -2.175  0.00  0.00    -0.050 Br
ATOM     25  C   LIG    1       -4.754  -1.363  -1.147  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -4.675  -0.195  -0.390  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -3.535   0.069   0.371  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4