REMARK  Name = BDB045616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.322   0.360  -0.015  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        3.982  -0.968  -0.342  0.00  0.00    +0.238 C 
ATOM      3  N   LIG    1        5.171  -1.237   0.314  0.00  0.00    -0.183 N 
ATOM      4  O   LIG    1        3.510  -1.782  -1.138  0.00  0.00    -0.274 OA
BRANCH   3   5
ATOM      5  O   LIG    1        5.806  -2.429  -0.131  0.00  0.00    -0.292 OA
ATOM      6  H   LIG    1        5.121  -2.816  -0.721  0.00  0.00    +0.242 HD
ENDBRANCH   3   5
BRANCH   3   7
ATOM      7  C   LIG    1        6.151  -0.263   0.787  0.00  0.00    +0.151 C 
BRANCH   7   8
ATOM      8  C   LIG    1        7.010   0.281  -0.350  0.00  0.00    +0.142 C 
BRANCH   8   9
ATOM      9  C   LIG    1        7.970   1.315   0.168  0.00  0.00    +0.306 C 
ATOM     10  O   LIG    1        7.896   1.851   1.262  0.00  0.00    -0.251 OA
BRANCH   9  11
ATOM     11  O   LIG    1        8.930   1.633  -0.729  0.00  0.00    -0.481 OA
ATOM     12  H   LIG    1        8.880   1.134  -1.567  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   3   7
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1        1.917   0.500  -0.602  0.00  0.00    +0.010 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.881  -0.333   0.164  0.00  0.00    +0.016 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.516  -0.185  -0.459  0.00  0.00    +0.084 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.573  -0.835   0.341  0.00  0.00    -0.305 NA
ATOM     17  C   LIG    1       -1.431  -2.297   0.309  0.00  0.00    +0.104 C 
BRANCH  16  18
ATOM     18  C   LIG    1       -2.919  -0.467  -0.147  0.00  0.00    +0.084 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.333   0.948   0.283  0.00  0.00    +0.015 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.727   1.349  -0.215  0.00  0.00    +0.001 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.862   0.543   0.421  0.00  0.00    -0.000 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -8.362   0.275   0.610  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -7.229   1.073  -0.015  0.00  0.00    -0.003 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 15