REMARK  Name = BDB002110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.890  -0.932  -1.535  0.00  0.00    -0.285 OA
ATOM      2  C   LIG    1       -1.862  -1.270  -0.955  0.00  0.00    +0.210 C 
ATOM      3  C   LIG    1       -1.805  -2.602  -0.338  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -0.633  -3.064   0.240  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -0.598  -4.344   0.817  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.736  -5.152   0.812  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.913  -4.688   0.230  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.578  -2.229   0.256  0.00  0.00    +0.210 C 
ATOM      9  O   LIG    1        1.601  -2.688   0.757  0.00  0.00    -0.285 OA
ATOM     10  C   LIG    1        0.507  -0.834  -0.319  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -2.949  -3.417  -0.345  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -0.650  -0.383  -0.860  0.00  0.00    +0.104 C 
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1        1.671  -0.016  -0.249  0.00  0.00    -0.325 N 
ATOM     14  C   LIG    1        1.646   1.210   0.585  0.00  0.00    +0.105 C 
ATOM     15  C   LIG    1        2.959   1.422   1.332  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        4.147   1.491   0.374  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1        3.988   0.550  -0.821  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1        3.010  -0.579  -0.512  0.00  0.00    +0.105 C 
ENDBRANCH  10  13
BRANCH  12  19
ATOM     19  N   LIG    1       -0.716   0.865  -1.492  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        0.231   1.195  -1.683  0.00  0.00    +0.152 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.525   1.957  -1.090  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -1.366   3.177  -1.769  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -2.144   4.292  -1.447  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.109   4.201  -0.450  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.300   2.993   0.215  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.520   1.878  -0.109  0.00  0.00    +0.023 A 
ENDBRANCH  19  21
ENDBRANCH  12  19
TORSDOF 3