REMARK  Name = BDB038546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.262  -0.598  -0.456  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        0.044  -1.784   0.157  0.00  0.00    -0.236 NA
ATOM      3  C   LIG    1       -1.223  -2.244   0.301  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.304  -1.520  -0.189  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -2.102  -0.286  -0.811  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1       -0.785   0.167  -0.950  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.208   0.364  -0.482  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1        5.223  -0.563  -0.111  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        3.894  -0.255  -0.350  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1        2.663  -1.046  -0.059  0.00  0.00    +0.151 C 
ATOM     11  N   LIG    1        1.602  -0.181  -0.553  0.00  0.00    -0.248 N 
ATOM     12  C   LIG    1        2.090   1.009  -1.075  0.00  0.00    +0.253 C 
ATOM     13  O   LIG    1        1.510   1.968  -1.551  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        3.552   0.952  -0.948  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1        4.497   1.886  -1.325  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1        5.843   1.582  -1.087  0.00  0.00    +0.046 A 
BRANCH   7  18
ATOM     17  C   LIG    1        8.536   0.855  -0.564  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        7.487  -0.036  -0.203  0.00  0.00    -0.495 OA
ENDBRANCH   7  18
ENDBRANCH   1  11
BRANCH   5  19
ATOM     19  C   LIG    1       -3.240   0.520  -1.296  0.00  0.00    -0.007 A 
ATOM     20  C   LIG    1       -4.283   0.963  -0.447  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -5.367   1.677  -0.984  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -5.416   1.987  -2.342  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.385   1.579  -3.181  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -3.311   0.851  -2.664  0.00  0.00    +0.009 A 
BRANCH  20  25
ATOM     25  C   LIG    1       -4.288   0.701   0.992  0.00  0.00    +0.164 A 
ATOM     26  N   LIG    1       -3.427   1.238   1.916  0.00  0.00    -0.317 N 
ATOM     27  C   LIG    1       -2.379   2.200   1.708  0.00  0.00    +0.152 C 
ATOM     28  C   LIG    1       -3.774   0.703   3.119  0.00  0.00    +0.225 A 
ATOM     29  N   LIG    1       -4.800  -0.099   2.964  0.00  0.00    -0.138 NA
ATOM     30  N   LIG    1       -5.134  -0.089   1.630  0.00  0.00    -0.129 NA
ENDBRANCH  20  25
ENDBRANCH   5  19
BRANCH   3  31
ATOM     31  C   LIG    1       -1.433  -3.565   1.001  0.00  0.00    +0.038 C 
ATOM     32  C   LIG    1       -0.798  -3.807   2.352  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -2.284  -3.636   2.250  0.00  0.00    +0.010 C 
ENDBRANCH   3  31
TORSDOF 5