REMARK  Name = BDB005999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.514   1.242  -0.999  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1       -4.234   0.694  -1.016  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -3.142   0.681  -0.023  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -2.098  -0.073  -0.546  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1       -2.348  -0.466  -1.917  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -3.154   1.256   1.049  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.741   0.016  -2.145  0.00  0.00    -0.015 A 
ATOM      8  C   LIG    1       -4.507  -0.136  -3.289  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1       -5.784   0.408  -3.285  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1       -6.551   0.281  -4.375  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -6.285   1.085  -2.169  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -0.768  -0.101   0.074  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1        0.078   1.101  -0.351  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1        1.396   1.140   0.432  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1        1.893  -0.191   0.820  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1        1.523  -1.217  -0.149  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        0.001  -1.413  -0.158  0.00  0.00    +0.038 C 
BRANCH  15  18
ATOM     18  C   LIG    1        3.310  -0.163   1.222  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1        3.582  -1.265   2.271  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1        5.053  -1.696   2.358  0.00  0.00    +0.040 C 
ATOM     21  C   LIG    1        6.042  -0.595   1.968  0.00  0.00    +0.119 C 
ATOM     22 CL   LIG    1        5.934   0.765   3.145  0.00  0.00    -0.101 Cl
ATOM     23 CL   LIG    1        7.719  -1.234   2.072  0.00  0.00    -0.101 Cl
ATOM     24  C   LIG    1        5.778  -0.085   0.539  0.00  0.00    +0.040 C 
ATOM     25  C   LIG    1        4.322  -0.236   0.070  0.00  0.00    +0.022 C 
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  29
ATOM     26  N   LIG    1       -5.596   2.018   1.346  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1       -6.034   2.603   2.044  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -4.630   1.745   1.525  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1       -6.174   1.975   0.117  0.00  0.00    +0.242 C 
ATOM     30  O   LIG    1       -7.253   2.533  -0.059  0.00  0.00    -0.270 OA
ENDBRANCH   1  29
TORSDOF 3