REMARK  Name = BDB001867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.437   0.115  -0.338  0.00  0.00    -0.311 N 
ATOM      2  C   LIG    1        0.661   1.473  -0.271  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -0.519   2.090   0.104  0.00  0.00    +0.124 A 
ATOM      4  N   LIG    1       -0.597   3.438   0.229  0.00  0.00    -0.241 NA
ATOM      5  C   LIG    1        0.542   4.097  -0.032  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        1.737   3.439  -0.423  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1        2.870   4.200  -0.678  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        2.859   5.591  -0.558  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        1.691   6.234  -0.176  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.545   5.481   0.083  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -1.502   1.081   0.273  0.00  0.00    +0.126 A 
ATOM     12  N   LIG    1        1.819   2.105  -0.559  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1       -0.869  -0.152   0.045  0.00  0.00    +0.123 A 
ENDROOT
BRANCH  13  14
ATOM     14  N   LIG    1       -1.494  -1.391   0.145  0.00  0.00    -0.264 N 
ATOM     15  H   LIG    1       -2.508  -1.370   0.262  0.00  0.00    +0.157 HD
ATOM     16  C   LIG    1       -0.924  -2.617   0.430  0.00  0.00    +0.285 C 
ATOM     17  O   LIG    1        0.268  -2.830   0.610  0.00  0.00    -0.266 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -1.917  -3.672   0.552  0.00  0.00    +0.189 A 
ATOM     19  O   LIG    1       -3.247  -3.370   0.397  0.00  0.00    -0.458 OA
ATOM     20  C   LIG    1       -3.942  -4.525   0.564  0.00  0.00    +0.196 A 
ATOM     21  C   LIG    1       -3.087  -5.569   0.828  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1       -1.782  -5.021   0.822  0.00  0.00    +0.054 A 
ENDBRANCH  16  18
ENDBRANCH  13  14
BRANCH  11  23
ATOM     23  C   LIG    1       -2.893   1.309   0.649  0.00  0.00    +0.345 C 
ATOM     24  O   LIG    1       -3.362   2.405   0.932  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.632   0.154   0.653  0.00  0.00    -0.461 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -5.013   0.292   1.023  0.00  0.00    +0.229 C 
ATOM     27  C   LIG    1       -5.159   0.192   2.529  0.00  0.00    +0.048 C 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  11  23
BRANCH   1  28
ATOM     28  C   LIG    1        1.420  -0.768  -0.954  0.00  0.00    +0.125 C 
BRANCH  28  29
ATOM     29  C   LIG    1        2.609  -1.071  -0.038  0.00  0.00    +0.022 C 
BRANCH  29  30
ATOM     30  C   LIG    1        3.524  -2.170  -0.586  0.00  0.00    +0.001 C 
BRANCH  30  32
ATOM     31  C   LIG    1        5.012  -0.635  -1.981  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1        4.147  -1.885  -1.955  0.00  0.00    -0.003 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 9