REMARK  Name = BDB063338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.955  -0.065   0.021  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        2.332  -1.234  -0.436  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        0.970  -1.379  -0.535  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        0.697  -2.581  -1.003  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        1.890  -3.241  -1.200  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.169  -0.275  -0.133  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1        0.841   0.805   0.324  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        2.857  -2.425  -0.848  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        2.214   0.941   0.402  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.313  -0.257  -0.142  0.00  0.00    -0.012 A 
ATOM     11  C   LIG    1       -2.026  -1.341   0.401  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1       -3.437  -1.336   0.398  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.426  -2.256   0.851  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -5.662  -1.718   0.568  0.00  0.00    +0.087 A 
ATOM     15  N   LIG    1       -5.447  -0.505  -0.018  0.00  0.00    -0.344 N 
ATOM     16  C   LIG    1       -4.106  -0.242  -0.157  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1       -3.422   0.844  -0.722  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -2.022   0.813  -0.706  0.00  0.00    +0.011 A 
BRANCH  15  19
ATOM     19  C   LIG    1       -6.534   0.375  -0.501  0.00  0.00    +0.087 C 
ATOM     20  C   LIG    1       -7.754   0.690   0.333  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -6.746   1.764   0.055  0.00  0.00    +0.027 C 
ENDBRANCH  15  19
ENDBRANCH   6  10
BRANCH   1  22
ATOM     22  N   LIG    1        4.330  -0.012   0.060  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        4.858  -0.618  -0.560  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        5.029   1.241   0.305  0.00  0.00    +0.178 C 
BRANCH  24  27
ATOM     25  C   LIG    1        8.736   1.064   0.515  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        7.531   1.535   1.090  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        6.512   1.095   0.271  0.00  0.00    +0.122 A 
ATOM     28  O   LIG    1        7.029   0.378  -0.772  0.00  0.00    -0.466 OA
ATOM     29  C   LIG    1        8.377   0.368  -0.615  0.00  0.00    +0.195 A 
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 5