REMARK  Name = BDB005220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.732  -0.090  -1.153  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1        0.493   0.759  -0.865  0.00  0.00    +0.038 C 
ATOM      3  C   LIG    1       -0.737   0.175  -1.560  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1       -0.999  -1.232  -1.220  0.00  0.00    -0.298 NA
ATOM      5  C   LIG    1        0.184  -2.058  -1.492  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        1.460  -1.562  -0.807  0.00  0.00    +0.038 C 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        2.688   2.256   1.114  0.00  0.00    +0.033 C 
ATOM      8  C   LIG    1        3.054   0.790   0.890  0.00  0.00    +0.104 C 
ATOM      9  N   LIG    1        2.965   0.392  -0.512  0.00  0.00    -0.288 N 
ATOM     10  C   LIG    1        4.203  -0.011  -1.013  0.00  0.00    +0.248 C 
ATOM     11  O   LIG    1        4.413  -0.480  -2.117  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        5.210   0.145   0.050  0.00  0.00    +0.054 A 
ATOM     13  C   LIG    1        6.577  -0.106   0.083  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        7.222   0.077   1.325  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        6.525   0.491   2.471  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.158   0.742   2.410  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        4.512   0.570   1.193  0.00  0.00    -0.014 A 
BRANCH  13  18
ATOM     18  C   LIG    1        7.449  -0.545  -1.044  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1        8.602  -0.912  -0.835  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1        6.981  -0.518  -2.321  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        7.571  -0.933  -3.029  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        5.987  -0.465  -2.541  0.00  0.00    +0.145 HD
ENDBRANCH  13  18
ENDBRANCH   1   9
BRANCH   4  23
ATOM     23  C   LIG    1       -1.500  -1.435   0.151  0.00  0.00    +0.121 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.849  -0.806   0.329  0.00  0.00    -0.008 A 
ATOM     25  C   LIG    1       -3.194   0.257   1.225  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.557   0.530   1.059  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -5.202   1.534   1.802  0.00  0.00    +0.026 A 
ATOM     28  C   LIG    1       -4.450   2.269   2.724  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -3.096   2.015   2.904  0.00  0.00    +0.001 A 
ATOM     30  N   LIG    1       -5.028  -0.341   0.094  0.00  0.00    -0.344 N 
ATOM     31  C   LIG    1       -2.460   1.016   2.163  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -4.010  -1.153  -0.335  0.00  0.00    +0.092 A 
BRANCH  30  33
ATOM     33  C   LIG    1       -6.401  -0.406  -0.409  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1       -6.469  -0.128  -1.912  0.00  0.00    +0.030 C 
ATOM     35  C   LIG    1       -7.066  -1.736  -0.056  0.00  0.00    +0.030 C 
ENDBRANCH  30  33
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 5