REMARK  Name = BDB013968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.628   0.177   0.358  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1       -1.331  -0.594   1.358  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -0.854  -1.829   1.837  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1       -1.599  -2.545   2.800  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -2.802  -2.057   3.297  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.279  -0.842   2.839  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.408  -2.477   1.340  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1        1.618  -1.617   1.649  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1        1.786  -0.539   0.598  0.00  0.00    +0.160 C 
ATOM     10  C   LIG    1       -2.551  -0.125   1.885  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        0.701   0.552   0.593  0.00  0.00    +0.240 C 
ATOM     12  O   LIG    1        1.039   1.746   0.620  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   9  13
ATOM     13  N   LIG    1        3.075   0.141   0.772  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1        3.017   1.127   1.012  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1        4.246  -0.374   0.265  0.00  0.00    +0.230 C 
ATOM     16  O   LIG    1        4.296  -1.501  -0.230  0.00  0.00    -0.274 OA
BRANCH  15  17
ATOM     17  C   LIG    1        5.500   0.524   0.444  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.285   1.962  -0.028  0.00  0.00    +0.034 C 
BRANCH  17  19
ATOM     19  N   LIG    1        6.689  -0.117  -0.174  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1        6.639  -1.113   0.064  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        6.729  -0.018  -1.630  0.00  0.00    +0.101 C 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   9  13
BRANCH   1  22
ATOM     22  C   LIG    1       -1.371   1.183  -0.426  0.00  0.00    +0.150 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -2.333  -0.424  -2.140  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -2.534   0.650  -1.253  0.00  0.00    -0.004 A 
ATOM     25  C   LIG    1       -3.836   1.247  -1.194  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -4.867   0.652  -1.965  0.00  0.00    +0.071 A 
ATOM     27  C   LIG    1       -6.150   1.179  -1.923  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -6.466   2.297  -1.154  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -5.474   2.912  -0.410  0.00  0.00    +0.001 A 
ATOM     30  N   LIG    1       -4.672  -0.408  -2.758  0.00  0.00    -0.254 NA
ATOM     31  C   LIG    1       -4.177   2.397  -0.432  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -3.424  -0.910  -2.844  0.00  0.00    +0.128 A 
BRANCH  23  34
ATOM     33  C   LIG    1        0.009  -1.522  -2.640  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1       -1.053  -1.019  -2.392  0.00  0.00    -0.068 C 
ENDBRANCH  23  34
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 6