REMARK  Name = BDB022983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.628  -0.284  -2.709  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.643  -0.864  -1.289  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.590   0.205  -0.274  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.705   0.918   0.172  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -1.574   2.016   0.718  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.701   0.893  -0.113  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.926   0.045  -0.364  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.812  -1.247  -0.838  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        3.000  -1.916  -1.024  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        4.206  -1.367  -0.799  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        4.227  -0.101  -0.369  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        3.127   0.624  -0.134  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        0.483  -1.890  -1.065  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -3.090   0.274   0.021  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -4.218   1.320   0.219  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -4.507   1.604   1.716  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -4.626   0.393   2.549  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -4.875   0.761   3.943  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -3.427  -0.439   2.442  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.223  -0.902   0.999  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -5.446   0.950  -0.616  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -6.470   0.119  -0.141  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -7.561  -0.206  -0.951  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -7.643   0.289  -2.250  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.633   1.111  -2.741  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.543   1.437  -1.932  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        5.428   0.552  -0.125  0.00  0.00    -0.310 N 
ATOM     28  H   LIG    1        5.173   1.344   0.458  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        6.519  -0.283   0.373  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1        7.317  -0.893  -0.792  0.00  0.00    +0.050 C 
ATOM     31  C   LIG    1        8.595  -0.112  -1.046  0.00  0.00    +0.161 C 
ATOM     32  O   LIG    1        9.465  -0.108   0.087  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1        8.810  -0.041   1.353  0.00  0.00    +0.161 C 
ATOM     34  C   LIG    1        7.422   0.573   1.274  0.00  0.00    +0.050 C 
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 4