REMARK  Name = BDB022233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.892  -2.833  -0.194  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -0.927  -1.380   0.133  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.274  -0.667   0.314  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.208   0.713   0.564  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.019   1.375   0.674  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.218   0.679   0.560  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1        1.522  -1.361   0.260  0.00  0.00    -0.306 N 
ATOM      8  C   LIG    1        1.583  -2.718  -0.012  0.00  0.00    +0.254 A 
ATOM      9  O   LIG    1        2.630  -3.355  -0.109  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -2.153  -0.694   0.287  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1        0.308  -3.428  -0.223  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -2.099  -3.475  -0.465  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -2.733  -2.881  -0.995  0.00  0.00    +0.146 HD
BRANCH  12  15
ATOM     14  C   LIG    1       -2.252  -5.744   0.451  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -2.277  -4.883  -0.801  0.00  0.00    +0.098 C 
ENDBRANCH  12  15
ENDBRANCH   1  12
BRANCH   6  16
ATOM     16  N   LIG    1       -3.482   1.296   0.646  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -4.194   0.669   1.018  0.00  0.00    +0.152 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -3.884   2.638   0.460  0.00  0.00    +0.053 A 
ATOM     19  C   LIG    1       -4.953   3.192   1.189  0.00  0.00    +0.110 A 
ATOM     20  C   LIG    1       -5.266   4.529   0.981  0.00  0.00    +0.148 A 
ATOM     21 CL   LIG    1       -6.549   5.337   1.801  0.00  0.00    -0.061 Cl
ATOM     22  N   LIG    1       -4.611   5.343   0.122  0.00  0.00    -0.242 NA
ATOM     23  C   LIG    1       -3.592   4.797  -0.566  0.00  0.00    +0.114 A 
ATOM     24  C   LIG    1       -3.198   3.476  -0.430  0.00  0.00    +0.044 A 
BRANCH  19  25
ATOM     25  C   LIG    1       -5.700   2.404   2.117  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1       -6.285   1.713   2.843  0.00  0.00    -0.191 NA
ENDBRANCH  19  25
ENDBRANCH  16  18
ENDBRANCH   6  16
BRANCH   7  27
ATOM     27  C   LIG    1        2.793  -0.663   0.455  0.00  0.00    +0.145 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.342  -0.073  -0.851  0.00  0.00    +0.138 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.479   0.802  -0.618  0.00  0.00    -0.240 N 
ATOM     30  C   LIG    1        4.351   2.090  -0.190  0.00  0.00    +0.222 C 
ATOM     31  O   LIG    1        3.303   2.675   0.043  0.00  0.00    -0.275 OA
ATOM     32  C   LIG    1        5.714   2.690  -0.024  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1        6.668   1.551  -0.331  0.00  0.00    +0.105 C 
ATOM     34  C   LIG    1        5.778   0.396  -0.680  0.00  0.00    +0.222 C 
ATOM     35  O   LIG    1        6.183  -0.722  -0.959  0.00  0.00    -0.275 OA
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 8