REMARK  Name = BDB048771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.344  -1.827  -1.672  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.662  -1.569  -2.401  0.00  0.00    +0.100 C 
BRANCH   2   4
ATOM      3  C   LIG    1       -3.261  -0.925  -0.443  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1       -2.615  -0.708  -1.644  0.00  0.00    +0.086 A 
ATOM      5  N   LIG    1       -3.014   0.506  -2.162  0.00  0.00    -0.214 NA
ATOM      6  C   LIG    1       -3.857   0.987  -1.268  0.00  0.00    +0.228 A 
ATOM      7  O   LIG    1       -4.063   0.156  -0.199  0.00  0.00    -0.440 OA
BRANCH   6   8
ATOM      8  C   LIG    1       -4.586   2.252  -1.273  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -5.466   2.608  -0.239  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -6.151   3.826  -0.270  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.965   4.704  -1.337  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.095   4.366  -2.371  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.411   3.148  -2.338  0.00  0.00    +0.013 A 
ENDBRANCH   6   8
BRANCH   3  14
ATOM     14  C   LIG    1       -3.290  -2.013   0.563  0.00  0.00    +0.076 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -1.375  -1.185   2.034  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -2.849  -1.558   1.956  0.00  0.00    +0.004 C 
ENDBRANCH  14  16
ENDBRANCH   3  14
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1        0.386  -0.606  -1.556  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.492  -0.619  -0.750  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        2.118  -1.762  -0.246  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        3.230  -1.601   0.568  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1        4.064  -2.671   1.199  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1        4.809  -1.866   2.273  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        4.968  -0.426   1.730  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1        3.740  -0.331   0.863  0.00  0.00    -0.040 A 
ATOM     25  C   LIG    1        3.133   0.807   0.361  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        2.006   0.654  -0.449  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        6.268  -0.262   0.940  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.527   1.159   0.526  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1        6.839   1.537  -0.591  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        6.467   2.036   1.546  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        6.696   2.894   1.130  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10