REMARK  Name = BDB055834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.851   1.498  -0.351  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.417   1.376   0.224  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        0.829   0.181   0.837  0.00  0.00    -0.011 A 
ATOM      4  C   LIG    1       -0.060  -0.902   0.860  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -1.334  -0.789   0.288  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -1.726   0.413  -0.317  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.234  -1.921   0.314  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.464  -1.938   0.935  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1       -4.252  -0.960   1.710  0.00  0.00    +0.090 C 
ATOM     10  O   LIG    1       -4.030  -3.164   0.769  0.00  0.00    -0.359 OA
ATOM     11  N   LIG    1       -3.178  -3.976   0.045  0.00  0.00    -0.083 NA
ATOM     12  C   LIG    1       -2.103  -3.227  -0.228  0.00  0.00    +0.088 A 
ATOM     13  C   LIG    1       -0.982  -3.794  -1.012  0.00  0.00    +0.070 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  O   LIG    1       -1.107   2.721  -0.907  0.00  0.00    -0.492 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -2.405   4.297  -2.134  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -2.360   2.889  -1.569  0.00  0.00    +0.225 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   3  17
ATOM     17  C   LIG    1        2.211   0.058   1.454  0.00  0.00    +0.175 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.327   0.033   0.423  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        4.136   1.156   0.180  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        5.145   1.115  -0.786  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        5.354  -0.049  -1.520  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        6.596  -0.100  -2.710  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        4.563  -1.173  -1.298  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        3.554  -1.132  -0.332  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
BRANCH  17  25
ATOM     25  O   LIG    1        2.411   1.106   2.404  0.00  0.00    -0.383 OA
ATOM     26  H   LIG    1        1.536   1.348   2.752  0.00  0.00    +0.211 HD
ENDBRANCH  17  25
ENDBRANCH   3  17
TORSDOF 6