REMARK  Name = BDB056464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.145   0.315   1.280  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1       -1.540  -1.000  -0.013  0.00  0.00    -0.308 N 
ATOM      3  H   LIG    1       -1.164  -1.678  -1.102  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1       -0.229  -0.643   0.187  0.00  0.00    +0.214 C 
ATOM      5  O   LIG    1        0.724  -1.060  -0.483  0.00  0.00    -0.276 OA
BRANCH   2   6
ATOM      6  C   LIG    1       -2.845  -1.356  -0.212  0.00  0.00    +0.103 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -3.758  -0.410  -0.870  0.00  0.00    -0.027 A 
ATOM      8  C   LIG    1       -5.041  -0.262  -0.425  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -5.950   0.598  -1.045  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -5.519   1.313  -2.137  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.223   1.163  -2.585  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.340   0.320  -1.974  0.00  0.00    +0.005 A 
ENDBRANCH   6   7
BRANCH   6  14
ATOM     13  C   LIG    1       -3.549  -0.869   2.156  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1       -3.527  -1.875   1.060  0.00  0.00    +0.024 C 
ENDBRANCH   6  14
ENDBRANCH   2   6
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1        1.447   0.112   1.946  0.00  0.00    +0.083 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.671   0.095   1.174  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        3.275  -1.074   0.848  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        2.834  -1.974   1.131  0.00  0.00    +0.170 HD
ATOM     19  C   LIG    1        4.427  -1.131   0.182  0.00  0.00    +0.259 A 
ATOM     20  O   LIG    1        4.986  -2.234  -0.124  0.00  0.00    -0.267 OA
ATOM     21  C   LIG    1        5.072   0.012  -0.212  0.00  0.00    +0.065 A 
ATOM     22  C   LIG    1        4.452   1.210   0.125  0.00  0.00    +0.078 A 
ATOM     23  C   LIG    1        5.113   2.365  -0.267  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        6.305   2.304  -0.947  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.918   1.115  -1.282  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.265  -0.041  -0.892  0.00  0.00    +0.015 A 
ATOM     27  N   LIG    1        3.291   1.240   0.797  0.00  0.00    -0.234 NA
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6