REMARK  Name = BDB029657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.033  -1.458  -0.315  0.00  0.00    -0.322 N 
ATOM      2  C   LIG    1        1.279  -2.590  -1.244  0.00  0.00    +0.084 C 
ATOM      3  C   LIG    1        2.043  -2.158  -2.501  0.00  0.00    +0.029 C 
ATOM      4  C   LIG    1       -0.110  -3.148  -1.681  0.00  0.00    +0.107 C 
ATOM      5  N   LIG    1       -0.993  -3.543  -0.576  0.00  0.00    -0.295 NA
ATOM      6  C   LIG    1       -0.496  -3.178   0.752  0.00  0.00    +0.103 C 
ATOM      7  C   LIG    1        0.211  -1.804   0.877  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.156   1.145   0.564  0.00  0.00    +0.127 A 
ATOM      9  N   LIG    1        3.068   1.646  -0.079  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1        2.072   0.760  -0.349  0.00  0.00    +0.162 A 
ATOM     11  C   LIG    1        2.102  -0.607  -0.010  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1        3.250  -1.067   0.643  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        4.291  -0.187   0.936  0.00  0.00    +0.035 A 
BRANCH   8  17
ATOM     14  C   LIG    1        5.968   4.465   0.593  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        4.991   3.415   0.488  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        4.129   3.571  -0.028  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        5.258   2.116   0.866  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        6.300   1.751   1.397  0.00  0.00    -0.269 OA
ENDBRANCH   8  17
BRANCH  10  19
ATOM     19  C   LIG    1        0.950   1.309  -1.066  0.00  0.00    +0.121 C 
ATOM     20  N   LIG    1        0.036   1.723  -1.657  0.00  0.00    -0.189 NA
ENDBRANCH  10  19
ENDBRANCH   1  11
BRANCH   5  21
ATOM     21  C   LIG    1       -2.420  -3.336  -0.826  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.030  -2.032  -0.367  0.00  0.00    -0.013 A 
ATOM     23  C   LIG    1       -2.614  -0.779  -0.834  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1       -3.235   0.369  -0.353  0.00  0.00    +0.068 A 
ATOM     25  C   LIG    1       -4.282   0.234   0.554  0.00  0.00    +0.088 A 
ATOM     26  C   LIG    1       -4.946   1.433   1.052  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1       -4.544   2.654   0.662  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1       -3.393   2.803  -0.288  0.00  0.00    +0.252 A 
ATOM     29  O   LIG    1       -2.992   3.910  -0.631  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1       -5.184   3.921   1.134  0.00  0.00    +0.049 C 
ATOM     31  N   LIG    1       -4.726  -0.953   1.016  0.00  0.00    -0.253 NA
ATOM     32  N   LIG    1       -2.815   1.646  -0.748  0.00  0.00    -0.321 N 
ATOM     33  H   LIG    1       -2.007   1.760  -1.359  0.00  0.00    +0.169 HD
ATOM     34  C   LIG    1       -4.090  -2.051   0.544  0.00  0.00    +0.116 A 
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 5