REMARK  Name = BDB046843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.430   2.242  -1.776  0.00  0.00    +0.075 C 
ENDROOT
BRANCH   1  11
ATOM      2  O   LIG    1        4.863  -1.714  -2.577  0.00  0.00    -0.267 OA
ATOM      3  C   LIG    1        4.593  -0.814  -1.792  0.00  0.00    +0.259 A 
ATOM      4  C   LIG    1        5.173  -0.749  -0.440  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        4.793   0.326   0.371  0.00  0.00    +0.080 A 
ATOM      6  C   LIG    1        5.325   0.415   1.659  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        6.218  -0.555   2.117  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        6.591  -1.624   1.300  0.00  0.00    +0.021 A 
ATOM      9 CL   LIG    1        6.866  -0.434   3.707  0.00  0.00    -0.083 Cl
ATOM     10  N   LIG    1        3.896   1.316  -0.062  0.00  0.00    -0.234 NA
ATOM     11  C   LIG    1        3.414   1.220  -1.258  0.00  0.00    +0.110 A 
ATOM     12  C   LIG    1        6.067  -1.724   0.012  0.00  0.00    +0.017 A 
ATOM     13  N   LIG    1        3.729   0.201  -2.115  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1        3.341   0.160  -3.047  0.00  0.00    +0.170 HD
ENDBRANCH   1  11
BRANCH   1  15
ATOM     15  C   LIG    1        1.066   2.107  -1.098  0.00  0.00    +0.023 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.380   0.770  -1.416  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -1.014   0.717  -0.950  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1       -1.678  -0.500  -1.444  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1       -3.179  -0.483  -1.111  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -3.439  -0.141   0.335  0.00  0.00    -0.042 C 
ATOM     21  C   LIG    1       -2.468   0.440   1.065  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1       -1.110   0.787   0.519  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.766  -0.451   0.905  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -4.889  -1.033   2.176  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -6.146  -1.341   2.705  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -7.297  -1.076   1.968  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.193  -0.504   0.703  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.936  -0.197   0.174  0.00  0.00    +0.008 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5