REMARK  Name = BDB000108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.315  -0.542   0.938  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1        0.086  -0.399   0.362  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -0.588   0.090  -0.844  0.00  0.00    +0.149 C 
ATOM      4  N   LIG    1       -1.995  -0.259  -0.548  0.00  0.00    -0.287 N 
ATOM      5  C   LIG    1       -2.212  -0.850   0.805  0.00  0.00    +0.166 C 
ATOM      6  C   LIG    1       -2.957  -0.060  -1.516  0.00  0.00    +0.249 C 
ATOM      7  O   LIG    1       -2.693   0.341  -2.648  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.820  -0.927   1.279  0.00  0.00    +0.087 A 
ATOM      9  N   LIG    1       -0.259  -1.397   2.387  0.00  0.00    -0.175 NA
ATOM     10  N   LIG    1        1.060  -1.144   2.159  0.00  0.00    -0.263 N 
ATOM     11  H   LIG    1        1.753  -1.394   2.861  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -4.350  -0.442  -1.218  0.00  0.00    +0.063 A 
ATOM     13  C   LIG    1       -5.124   0.315  -0.332  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1       -6.454  -0.115  -0.123  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -7.259   0.611   0.764  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -6.750   1.728   1.412  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -5.444   2.084   1.152  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -6.961  -1.245  -0.792  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -6.167  -1.962  -1.683  0.00  0.00    +0.001 A 
ATOM     20  N   LIG    1       -4.637   1.405   0.308  0.00  0.00    -0.254 NA
ATOM     21  C   LIG    1       -4.858  -1.557  -1.903  0.00  0.00    +0.015 A 
ENDBRANCH   6  12
BRANCH   1  23
ATOM     22  C   LIG    1        3.703  -0.409   1.254  0.00  0.00    +0.249 C 
ATOM     23  N   LIG    1        2.571  -0.198   0.483  0.00  0.00    -0.266 N 
ATOM     24  H   LIG    1        2.637   0.275  -0.409  0.00  0.00    +0.157 HD
ATOM     25  O   LIG    1        3.697  -0.875   2.391  0.00  0.00    -0.270 OA
BRANCH  22  30
ATOM     26  C   LIG    1        8.773   1.232  -1.032  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        7.466   0.777  -0.450  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1        7.244   0.851   0.930  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.018   0.454   1.470  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        4.993   0.000   0.633  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1        5.211  -0.078  -0.748  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1        6.440   0.319  -1.285  0.00  0.00    +0.004 A 
ENDBRANCH  22  30
ENDBRANCH   1  23
TORSDOF 3