REMARK  Name = BDB048802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.354  -0.674  -1.328  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1        1.992  -0.734  -0.984  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.234   0.453  -0.890  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        1.871   1.666  -1.137  0.00  0.00    +0.047 A 
ATOM      5  N   LIG    1        0.930   2.653  -0.977  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1        1.105   3.639  -1.108  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -0.289   2.121  -0.629  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        3.224   1.758  -1.481  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -0.134   0.741  -0.571  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1        3.953   0.568  -1.569  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.452   2.969  -0.391  0.00  0.00    -0.001 A 
ATOM     12  C   LIG    1       -2.587   2.859  -1.201  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -3.700   3.671  -0.973  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.684   4.599   0.067  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -2.557   4.716   0.879  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -1.444   3.904   0.650  0.00  0.00    +0.010 A 
ENDBRANCH   7  11
BRANCH   1  17
ATOM     17  C   LIG    1        4.171  -1.941  -1.400  0.00  0.00    +0.046 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.759  -2.292  -0.035  0.00  0.00    +0.125 C 
BRANCH  18  20
ATOM     19  O   LIG    1        5.773  -4.224  -1.101  0.00  0.00    -0.251 OA
ATOM     20  C   LIG    1        5.580  -3.555  -0.100  0.00  0.00    +0.305 C 
BRANCH  20  21
ATOM     21  O   LIG    1        6.103  -3.888   1.104  0.00  0.00    -0.481 OA
ATOM     22  H   LIG    1        5.869  -3.266   1.820  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   9  23
ATOM     23  C   LIG    1       -1.186  -0.267  -0.212  0.00  0.00    +0.042 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.330  -0.430   1.303  0.00  0.00    +0.040 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.423  -1.407   1.657  0.00  0.00    -0.047 A 
ATOM     26  C   LIG    1       -3.746  -0.967   1.794  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -4.764  -1.871   2.102  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.468  -3.223   2.270  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.156  -3.671   2.130  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.137  -2.769   1.822  0.00  0.00    +0.003 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   9  23
TORSDOF 8