REMARK  Name = BDB001839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.206  -0.865   1.560  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -0.409   0.117   0.583  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -1.641   0.233  -0.061  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -2.696  -0.629   0.264  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -2.494  -1.611   1.241  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.262  -1.725   1.886  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.134  -0.992   2.245  0.00  0.00    +0.035 C 
BRANCH   7   8
ATOM      8  C   LIG    1        1.866  -2.310   1.961  0.00  0.00    +0.011 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.141  -2.592   0.479  0.00  0.00    +0.059 C 
BRANCH   9  12
ATOM     10  C   LIG    1        1.681  -0.962  -2.442  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        2.718  -0.899  -1.399  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        2.945  -1.541  -0.199  0.00  0.00    +0.083 A 
ATOM     13  N   LIG    1        4.109  -1.065   0.361  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        4.542  -0.161  -0.498  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        3.735  -0.008  -1.595  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.734   0.680  -0.430  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        6.594   0.575   0.674  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.741   1.368   0.767  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        8.043   2.276  -0.245  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.201   2.393  -1.348  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.053   1.600  -1.441  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.046  -0.465  -0.395  0.00  0.00    +0.071 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.857   0.682   0.228  0.00  0.00    +0.199 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.889   1.163  -0.699  0.00  0.00    -0.339 N 
ATOM     25  C   LIG    1       -5.934   2.434  -1.220  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1       -6.995   2.499  -2.097  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -7.606   1.225  -2.115  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -6.901   0.418  -1.250  0.00  0.00    +0.086 A 
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1       -5.440   0.265   1.573  0.00  0.00    +0.328 C 
ATOM     30  O   LIG    1       -6.537  -0.245   1.747  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -4.595   0.464   2.619  0.00  0.00    -0.479 OA
ATOM     32  H   LIG    1       -3.702   0.787   2.386  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10