REMARK  Name = BDB054339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.153  -2.022  -1.577  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.635  -0.794  -2.014  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -0.732  -0.522  -1.920  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -1.610  -1.473  -1.388  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -1.097  -2.704  -0.960  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.270  -2.976  -1.054  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.630  -2.317  -1.682  0.00  0.00    +0.094 C 
BRANCH   7  10
ATOM      8  C   LIG    1        2.791  -2.602   1.681  0.00  0.00    +0.088 C 
ATOM      9  C   LIG    1        3.355  -1.639   0.720  0.00  0.00    +0.126 A 
ATOM     10  C   LIG    1        3.304  -1.484  -0.650  0.00  0.00    +0.087 A 
ATOM     11  N   LIG    1        4.042  -0.373  -1.009  0.00  0.00    -0.213 NA
ATOM     12  C   LIG    1        4.488   0.110   0.136  0.00  0.00    +0.228 A 
ATOM     13  O   LIG    1        4.107  -0.620   1.232  0.00  0.00    -0.440 OA
BRANCH  12  14
ATOM     14  C   LIG    1        5.317   1.287   0.381  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        5.743   2.071  -0.703  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        6.537   3.203  -0.500  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        6.916   3.566   0.791  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.502   2.799   1.878  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.707   1.666   1.674  0.00  0.00    +0.013 A 
ENDBRANCH  12  14
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1       -3.086  -1.175  -1.276  0.00  0.00    +0.043 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.558  -0.927   0.168  0.00  0.00    +0.045 C 
ATOM     22  C   LIG    1       -5.088  -0.936   0.211  0.00  0.00    +0.170 C 
ATOM     23  O   LIG    1       -5.542  -0.063   1.241  0.00  0.00    -0.340 OA
ATOM     24  C   LIG    1       -5.235   1.302   0.921  0.00  0.00    +0.267 C 
ATOM     25  C   LIG    1       -5.307   2.108   2.219  0.00  0.00    +0.087 C 
ATOM     26  O   LIG    1       -3.916   1.456   0.377  0.00  0.00    -0.340 OA
ATOM     27  C   LIG    1       -3.048   0.392   0.752  0.00  0.00    +0.170 C 
BRANCH  24  28
ATOM     28  C   LIG    1       -6.284   1.896  -0.071  0.00  0.00    +0.365 C 
ATOM     29  O   LIG    1       -6.068   2.423  -1.153  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -7.566   1.762   0.348  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -8.090   2.152  -0.382  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 7