REMARK  Name = BDB007776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.161  -3.357   0.077  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        1.043  -3.624  -1.655  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1        0.732  -2.508  -1.256  0.00  0.00    +0.244 C 
ATOM      4  N   LIG    1       -0.387  -2.263  -0.490  0.00  0.00    -0.309 N 
ATOM      5  H   LIG    1       -0.385  -1.417   0.081  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        1.597  -1.330  -1.548  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        2.955  -1.565  -1.820  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1        3.781  -0.463  -2.075  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1        3.242   0.816  -2.066  0.00  0.00    +0.086 A 
ATOM     10  N   LIG    1        4.320   1.607  -2.349  0.00  0.00    -0.257 N 
ATOM     11  H   LIG    1        4.369   2.614  -2.442  0.00  0.00    +0.191 HD
ATOM     12  N   LIG    1        5.441   0.888  -2.514  0.00  0.00    -0.067 NA
ATOM     13  C   LIG    1        1.897   1.086  -1.817  0.00  0.00    +0.030 A 
ATOM     14  N   LIG    1        5.121  -0.390  -2.350  0.00  0.00    -0.130 NA
ATOM     15  C   LIG    1        1.080  -0.023  -1.563  0.00  0.00    +0.015 A 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -2.479  -2.850   0.690  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -3.287  -2.233  -0.319  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -2.663  -1.907  -0.996  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -2.269  -1.893   1.894  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.442  -0.694   1.600  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -2.272   0.394   1.028  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -1.490   1.675   0.809  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -0.319   1.938   1.541  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1        0.374   3.139   1.340  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -0.106   4.085   0.436  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -1.276   3.837  -0.277  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        0.223   0.902   2.493  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -1.968   2.640  -0.089  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -0.802  -0.190   2.830  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6