REMARK  Name = BDB009148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.032   0.839  -1.051  0.00  0.00    -0.038 A 
ATOM      2  C   LIG    1        0.874  -0.230  -0.695  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        2.111  -0.017  -0.062  0.00  0.00    -0.018 A 
ATOM      4  C   LIG    1        2.499   1.305   0.203  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        1.682   2.377  -0.157  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.459   2.147  -0.784  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.976  -1.149   0.306  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        4.303  -1.222  -0.154  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        5.128  -2.302   0.194  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        4.633  -3.309   1.028  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        3.321  -3.252   1.493  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.499  -2.183   1.130  0.00  0.00    +0.008 A 
BRANCH   9  13
ATOM     13  C   LIG    1        6.533  -2.407  -0.281  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1        7.357  -3.105   0.298  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        6.871  -1.726  -1.417  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        6.177  -1.387  -2.068  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        7.794  -1.919  -1.786  0.00  0.00    +0.145 HD
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   1  19
ATOM     18  C   LIG    1       -1.158   0.781  -3.254  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -1.295   0.559  -1.743  0.00  0.00    +0.067 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.461   1.371  -1.139  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1       -3.150   0.856   0.092  0.00  0.00    -0.015 A 
ATOM     22  C   LIG    1       -2.704  -0.419   0.754  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -3.302  -0.627   2.149  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.782  -0.269   2.173  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.998   1.187   1.759  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.175   1.586   0.565  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -4.554   2.857  -0.100  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -5.474   3.555   0.314  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -3.813   3.202  -1.196  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -4.057   4.067  -1.667  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -2.788   2.486  -1.725  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 4