REMARK  Name = BDB003682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.256  -1.916   0.017  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -2.003  -2.540   0.109  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -0.845  -1.753   0.176  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -0.887  -0.336   0.152  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -2.163   0.271   0.092  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1       -2.280   1.670   0.121  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -1.158   2.484   0.232  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        0.106   1.886   0.279  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        0.278   0.493   0.190  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -3.324  -0.521   0.016  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1       -1.210   3.894   0.302  0.00  0.00    -0.286 N 
ATOM     12  H   LIG    1       -0.319   4.365   0.395  0.00  0.00    +0.155 HD
ATOM     13  C   LIG    1       -2.334   4.701   0.275  0.00  0.00    +0.214 C 
ATOM     14  O   LIG    1       -3.502   4.340   0.194  0.00  0.00    -0.276 OA
ATOM     15  C   LIG    1       -1.986   6.164   0.390  0.00  0.00    +0.109 C 
ENDBRANCH   7  11
BRANCH   1  17
ATOM     16  C   LIG    1       -5.628  -2.151  -0.157  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -4.344  -2.749  -0.054  0.00  0.00    -0.491 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  O   LIG    1       -2.012  -3.913   0.122  0.00  0.00    -0.491 OA
ATOM     19  C   LIG    1       -0.775  -4.582   0.322  0.00  0.00    +0.277 C 
ENDBRANCH   2  18
BRANCH   9  20
ATOM     20  N   LIG    1        1.555  -0.098   0.255  0.00  0.00    -0.339 N 
ATOM     21  H   LIG    1        1.595  -0.945  -0.308  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.762   0.697   0.076  0.00  0.00    +0.137 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.959  -0.224   0.039  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        4.633  -0.480  -1.164  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.730  -1.343  -1.191  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.160  -1.963  -0.019  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.493  -1.724   1.181  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.397  -0.861   1.210  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   9  20
TORSDOF 6