REMARK  Name = BDB032031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.281  -0.115   0.284  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.870  -0.009  -0.409  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.978   0.000   0.332  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -3.308   0.099  -0.117  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1       -4.162  -0.062   1.002  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -3.329  -0.121   2.136  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -3.760  -0.339   3.487  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -5.378  -0.154   0.993  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -2.007  -0.111   1.702  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.812  -0.221   2.334  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        0.342  -0.220   1.633  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.728  -0.004  -1.497  0.00  0.00    +0.121 C 
ATOM     13  C   LIG    1       -2.758   0.507  -2.562  0.00  0.00    +0.185 C 
ATOM     14  O   LIG    1       -3.536   0.851  -3.722  0.00  0.00    -0.378 OA
ATOM     15  C   LIG    1       -4.917   0.871  -3.342  0.00  0.00    +0.162 C 
ATOM     16  C   LIG    1       -4.958   0.824  -1.832  0.00  0.00    +0.055 C 
ENDBRANCH   4  12
BRANCH   1  17
ATOM     17  N   LIG    1        1.428  -0.119  -0.507  0.00  0.00    -0.283 N 
ATOM     18  H   LIG    1        1.145  -0.022  -1.471  0.00  0.00    +0.155 HD
BRANCH  17  21
ATOM     19  C   LIG    1        3.269  -0.217  -2.757  0.00  0.00    +0.046 C 
ATOM     20  C   LIG    1        3.722  -0.212  -1.320  0.00  0.00    -0.027 A 
ATOM     21  C   LIG    1        2.805  -0.156  -0.248  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        3.330  -0.170   1.052  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        4.717  -0.223   1.299  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.619  -0.269   0.230  0.00  0.00    +0.094 A 
ATOM     25  N   LIG    1        6.945  -0.319   0.447  0.00  0.00    -0.149 NA
ATOM     26  N   LIG    1        7.449  -0.326   1.720  0.00  0.00    -0.157 NA
ATOM     27  C   LIG    1        6.603  -0.283   2.763  0.00  0.00    +0.135 A 
ATOM     28  C   LIG    1        5.234  -0.231   2.598  0.00  0.00    +0.031 A 
ATOM     29  C   LIG    1        5.107  -0.263  -1.060  0.00  0.00    +0.035 A 
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 3