REMARK  Name = BDB039480
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.604  -0.049   0.225  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.942   1.157   0.404  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.414   2.254   0.624  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.509   0.878   0.258  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -2.360  -0.459  -0.089  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -1.098  -0.992  -0.296  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        0.041  -0.168  -0.144  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.157   1.197   0.202  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -1.434   1.730   0.406  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -3.698  -1.107  -0.205  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        1.397  -0.724  -0.359  0.00  0.00    +0.074 A 
ATOM     12  N   LIG    1        1.480  -1.664  -1.340  0.00  0.00    -0.228 NA
ATOM     13  C   LIG    1        2.726  -2.131  -1.517  0.00  0.00    +0.159 A 
ATOM     14  C   LIG    1        3.884  -1.788  -0.836  0.00  0.00    +0.112 A 
ATOM     15  N   LIG    1        4.957  -2.503  -1.320  0.00  0.00    -0.234 NA
ATOM     16  C   LIG    1        4.460  -3.257  -2.278  0.00  0.00    +0.198 A 
ATOM     17  C   LIG    1        3.790  -0.828   0.179  0.00  0.00    -0.002 A 
ATOM     18  N   LIG    1        3.116  -3.064  -2.433  0.00  0.00    -0.329 N 
ATOM     19  H   LIG    1        2.506  -3.515  -3.097  0.00  0.00    +0.168 HD
ATOM     20  C   LIG    1        2.498  -0.307   0.406  0.00  0.00    +0.035 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.969  -0.382   1.007  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  N   LIG    1        5.103   1.088   1.067  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1        6.139   1.482   2.034  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1        7.465   1.397   1.294  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1        7.105   1.523  -0.179  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1        5.588   1.647  -0.208  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   7  11
BRANCH   1  33
ATOM     27  O   LIG    1       -9.936   1.012  -0.670  0.00  0.00    -0.275 OA
ATOM     28  C   LIG    1       -8.768   0.730  -0.417  0.00  0.00    +0.219 C 
ATOM     29  N   LIG    1       -7.809   0.743  -1.398  0.00  0.00    -0.255 N 
ATOM     30  H   LIG    1       -8.120   1.027  -2.317  0.00  0.00    +0.158 HD
ATOM     31  C   LIG    1       -6.508   0.304  -1.314  0.00  0.00    +0.240 C 
ATOM     32  O   LIG    1       -5.817   0.215  -2.328  0.00  0.00    -0.273 OA
ATOM     33  C   LIG    1       -6.049  -0.179   0.071  0.00  0.00    +0.163 C 
ATOM     34  C   LIG    1       -6.849   0.512   1.174  0.00  0.00    +0.041 C 
ATOM     35  C   LIG    1       -8.333   0.262   0.952  0.00  0.00    +0.098 C 
ENDBRANCH   1  33
TORSDOF 4