REMARK  Name = BDB016064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.794   2.234   0.542  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.061   1.127   0.319  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.259   1.246   0.059  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1       -1.871   2.502   0.076  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.028   3.576   0.316  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.298   3.479   0.534  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.164   0.551   1.163  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.796   0.760   0.923  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.237   2.051   0.801  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.110   3.143   0.936  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.474   2.956   1.177  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.996   1.667   1.289  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        4.775  -4.370   0.806  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        4.962  -2.973   1.114  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.043  -2.585   1.813  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.886  -1.263   1.919  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.708  -0.793   1.288  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.139  -1.940   0.769  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.298   2.723  -0.055  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.884   3.723  -0.805  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.233   3.578  -0.644  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.271   4.388  -1.232  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.569   2.555   0.161  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.391   2.042   0.527  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.963   0.066  -0.215  0.00  0.00    -0.314 N 
ATOM     26  C   LIG    1       -1.249  -1.193   0.040  0.00  0.00    +0.110 C 
ATOM     27  C   LIG    1       -1.995  -2.211  -0.827  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -2.277  -1.384  -2.079  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -2.636  -0.005  -1.523  0.00  0.00    +0.107 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -1.196  -3.477  -1.130  0.00  0.00    +0.033 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -0.858  -4.280   0.121  0.00  0.00    +0.156 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -0.102  -5.428  -0.242  0.00  0.00    -0.395 OA
ATOM     33  H   LIG    1       -0.671  -5.990  -0.795  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH   3  25
TORSDOF 7