REMARK  Name = BDB049263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.180  -0.007  -0.636  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.959  -0.932  -1.387  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        2.320  -0.752  -1.379  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        2.823  -1.705  -2.216  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.848  -2.469  -2.655  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.957   0.254  -0.648  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        2.245   1.107   0.035  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.669  -1.979  -2.134  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.872   0.946   0.029  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.120  -0.164  -0.307  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -3.343  -1.321  -0.161  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -1.949  -1.264  -0.268  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.297  -0.049  -0.519  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -2.078   1.105  -0.684  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.471   1.048  -0.577  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -5.629  -0.227  -0.196  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -5.961   1.306   1.683  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -6.209  -0.025   1.140  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1       -5.837  -1.063   2.094  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        4.330   0.364  -0.657  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1        4.565   1.290  -0.292  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.117  -0.598   0.119  0.00  0.00    +0.180 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.567  -0.293   0.134  0.00  0.00    +0.142 A 
ATOM     24  O   LIG    1        6.953   0.915   0.654  0.00  0.00    -0.446 OA
ATOM     25  C   LIG    1        8.309   0.900   0.533  0.00  0.00    +0.308 A 
ATOM     26  N   LIG    1        8.809  -0.189  -0.005  0.00  0.00    -0.224 NA
ATOM     27  C   LIG    1        7.703  -0.956  -0.267  0.00  0.00    +0.157 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6