REMARK  Name = BDB013865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.623  -1.143   0.341  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -2.883  -0.544   0.543  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1       -4.057  -1.308   0.463  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1       -3.952  -2.656   0.189  0.00  0.00    +0.111 A 
ATOM      5  N   LIG    1       -2.776  -3.281   0.009  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.657  -2.522   0.109  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -0.421  -0.436   0.522  0.00  0.00    -0.335 N 
ATOM      8  H   LIG    1       -0.594   0.571   0.409  0.00  0.00    +0.147 HD
BRANCH   7   9
ATOM      9  C   LIG    1        0.758  -0.843  -0.245  0.00  0.00    +0.176 C 
BRANCH   9  13
ATOM     10  C   LIG    1        4.165   2.078  -2.052  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1        3.443   1.436  -0.936  0.00  0.00    +0.102 A 
ATOM     12  O   LIG    1        2.429   0.594  -1.280  0.00  0.00    -0.463 OA
ATOM     13  C   LIG    1        1.898   0.111  -0.119  0.00  0.00    +0.122 A 
ATOM     14  C   LIG    1        2.568   0.644   0.963  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        3.565   1.498   0.435  0.00  0.00    +0.045 A 
ENDBRANCH   9  13
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  C   LIG    1       -3.083   0.899   0.835  0.00  0.00    +0.339 C 
ATOM     17  O   LIG    1       -4.107   1.396   1.270  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -2.027   1.674   0.519  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -2.333   2.578   0.747  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 5