REMARK  Name = BDB054361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.315  -1.556  -0.595  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        0.961  -0.317   2.475  0.00  0.00    +0.088 C 
ATOM      3  C   LIG    1        1.805  -0.605   1.303  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        1.581  -1.103   0.037  0.00  0.00    +0.083 A 
ATOM      5  N   LIG    1        2.769  -1.141  -0.657  0.00  0.00    -0.214 NA
ATOM      6  C   LIG    1        3.660  -0.668   0.194  0.00  0.00    +0.228 A 
ATOM      7  O   LIG    1        3.137  -0.320   1.412  0.00  0.00    -0.440 OA
BRANCH   6   8
ATOM      8  C   LIG    1        5.096  -0.472   0.011  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        5.690  -0.809  -1.216  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        7.062  -0.633  -1.423  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        7.853  -0.115  -0.401  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        9.541   0.104  -0.652  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        7.285   0.227   0.824  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        5.912   0.049   1.028  0.00  0.00    +0.014 A 
ENDBRANCH   6   8
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -0.314  -0.513  -1.522  0.00  0.00    +0.006 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.787   0.741  -0.776  0.00  0.00    +0.001 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.616   1.676  -1.669  0.00  0.00    +0.008 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.114   1.774  -1.318  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.380   2.314   0.089  0.00  0.00    +0.169 C 
ATOM     20  O   LIG    1       -3.632   1.252   1.001  0.00  0.00    -0.340 OA
ATOM     21  C   LIG    1       -4.791   0.483   0.648  0.00  0.00    +0.267 C 
ATOM     22  C   LIG    1       -6.009   1.112   1.332  0.00  0.00    +0.087 C 
ATOM     23  O   LIG    1       -5.058   0.472  -0.760  0.00  0.00    -0.340 OA
ATOM     24  C   LIG    1       -3.855   0.456  -1.522  0.00  0.00    +0.169 C 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.640  -0.975   1.190  0.00  0.00    +0.365 C 
ATOM     26  O   LIG    1       -5.504  -1.662   1.717  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -3.402  -1.503   1.018  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1       -3.489  -2.399   1.403  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  21  25
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8