REMARK  Name = BDB022966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.396   1.431  -1.583  0.00  0.00    +0.035 C 
ATOM      2  C   LIG    1        0.274   0.910  -0.144  0.00  0.00    +0.122 C 
ATOM      3  N   LIG    1       -0.660   1.751   0.635  0.00  0.00    -0.293 N 
ATOM      4  C   LIG    1       -2.050   1.673   0.544  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -2.758   2.617   0.903  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -0.075   2.949   1.238  0.00  0.00    +0.113 C 
ATOM      7  C   LIG    1        1.064   2.576   2.185  0.00  0.00    +0.057 C 
ATOM      8  C   LIG    1        2.016   1.609   1.556  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        3.285   1.405   2.048  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        4.150   0.513   1.534  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.722  -0.223   0.502  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.507  -0.105  -0.045  0.00  0.00    -0.217 NA
ATOM     13  C   LIG    1        1.658   0.806   0.487  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.668   0.369   0.000  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -4.176   0.581  -0.304  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -5.058   0.512   0.976  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -4.427  -0.134   2.141  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -5.432  -0.493   3.139  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -3.635  -1.284   1.734  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -2.398  -0.789   0.988  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.756  -0.287  -1.428  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.223  -1.522  -1.821  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.809  -2.261  -2.853  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.938  -1.780  -3.510  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.483  -0.556  -3.136  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.898   0.182  -2.106  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        4.545  -1.167  -0.083  0.00  0.00    -0.310 N 
ATOM     28  H   LIG    1        4.148  -1.395  -0.986  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.985  -0.940  -0.032  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1        6.689  -2.262  -0.372  0.00  0.00    +0.050 C 
ATOM     31  C   LIG    1        8.088  -1.987  -0.891  0.00  0.00    +0.161 C 
ATOM     32  O   LIG    1        8.092  -1.221  -2.096  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1        6.957  -0.378  -2.287  0.00  0.00    +0.161 C 
ATOM     34  C   LIG    1        6.420   0.187  -0.982  0.00  0.00    +0.050 C 
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 4