REMARK  Name = BDB008978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.133  -0.076   0.671  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.714  -1.255   0.184  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1        0.519  -1.728   0.598  0.00  0.00    +0.117 A 
ATOM      4  C   LIG    1       -0.323  -1.063   1.479  0.00  0.00    -0.023 A 
ATOM      5  C   LIG    1        0.133   0.155   1.983  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        1.368   0.656   1.573  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        4.232  -1.280  -1.013  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        4.279  -0.147  -0.553  0.00  0.00    +0.251 C 
ATOM      9  N   LIG    1        3.362   0.472   0.274  0.00  0.00    -0.266 N 
ATOM     10  H   LIG    1        3.606   1.356   0.693  0.00  0.00    +0.157 HD
BRANCH   8  11
ATOM     11  C   LIG    1        5.479   0.664  -0.868  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        5.406   2.032  -1.097  0.00  0.00    +0.123 A 
ATOM     13  N   LIG    1        6.481   2.811  -1.371  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1        7.678   2.185  -1.452  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        7.848   0.821  -1.269  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        6.727   0.049  -0.975  0.00  0.00    +0.016 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   4  17
ATOM     17  C   LIG    1       -1.639  -1.663   1.896  0.00  0.00    +0.094 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.817  -0.704   1.748  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1       -3.515  -0.585   0.429  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -3.057  -1.377  -0.763  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -3.678  -0.908  -2.083  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -5.165  -0.617  -1.921  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.399   0.458  -0.859  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -4.562   0.257   0.374  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -4.953   1.039   1.574  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -5.891   1.830   1.554  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -4.202   0.827   2.697  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -4.458   1.347   3.530  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -3.152  -0.029   2.808  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 4