REMARK  Name = BDB040592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.324  -2.716   1.338  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.193  -1.610   0.795  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -2.257  -1.883  -0.066  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.036  -0.844  -0.599  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -4.339  -1.339  -1.628  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -2.768   0.510  -0.296  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.703   0.765   0.593  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -1.261   2.365   1.091  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -0.935  -0.277   1.131  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -3.584   1.659  -0.886  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -3.671   1.619  -2.410  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -2.725   1.295  -3.126  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -4.848   2.055  -2.970  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -4.889   2.031  -3.980  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -5.864   2.740  -2.353  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -6.772   3.249  -3.002  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -5.750   2.911  -0.858  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -4.964   1.771  -0.229  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.120  -2.621   1.705  0.00  0.00    +0.229 C 
ATOM     20  N   LIG    1        1.031  -2.565   0.859  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.161  -2.043  -0.008  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.002  -2.964   2.880  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        3.476  -2.238   1.074  0.00  0.00    +0.126 C 
ATOM     24  C   LIG    1        3.785  -3.164  -0.117  0.00  0.00    +0.031 C 
BRANCH  23  29
ATOM     25  C   LIG    1        3.209   3.194  -0.779  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1        3.291   1.780  -0.321  0.00  0.00    -0.014 A 
ATOM     27  C   LIG    1        4.253   1.351   0.568  0.00  0.00    +0.117 A 
ATOM     28  N   LIG    1        4.345   0.086   1.025  0.00  0.00    -0.239 NA
ATOM     29  C   LIG    1        3.415  -0.791   0.590  0.00  0.00    +0.146 A 
ATOM     30  N   LIG    1        2.443  -0.468  -0.294  0.00  0.00    -0.239 NA
ATOM     31  C   LIG    1        2.400   0.811  -0.721  0.00  0.00    +0.117 A 
ENDBRANCH  23  29
BRANCH  23  32
ATOM     32  C   LIG    1        4.562  -2.422   2.161  0.00  0.00    +0.179 C 
BRANCH  32  33
ATOM     33  O   LIG    1        5.884  -2.186   1.668  0.00  0.00    -0.394 OA
ATOM     34  H   LIG    1        5.917  -1.230   1.458  0.00  0.00    +0.209 HD
ENDBRANCH  32  33
ENDBRANCH  23  32
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 7