REMARK  Name = BDB046298
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.861   0.694  -0.992  0.00  0.00    +0.120 A 
ATOM      2  N   LIG    1        1.843   0.452  -0.102  0.00  0.00    -0.230 NA
ATOM      3  C   LIG    1        3.001  -0.085  -0.565  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        3.205  -0.387  -1.912  0.00  0.00    +0.068 A 
ATOM      5  N   LIG    1        4.416  -0.944  -2.340  0.00  0.00    -0.320 N 
ATOM      6  H   LIG    1        4.566  -1.162  -3.316  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        5.463  -1.228  -1.492  0.00  0.00    +0.257 A 
ATOM      8  C   LIG    1        5.281  -0.917  -0.046  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        6.327  -1.191   0.847  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        6.177  -0.906   2.202  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.987  -0.348   2.665  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.945  -0.076   1.774  0.00  0.00    +0.011 A 
ATOM     13  O   LIG    1        6.502  -1.720  -1.918  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        2.191  -0.123  -2.821  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        4.071  -0.355   0.402  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        1.002   0.430  -2.351  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   1  17
ATOM     17  N   LIG    1       -0.298   1.262  -0.463  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1       -0.094   1.340   0.534  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.512   0.470  -0.694  0.00  0.00    +0.118 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.713   1.135   0.019  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -4.004   0.453  -0.218  0.00  0.00    -0.301 NA
BRANCH  21  23
ATOM     22  C   LIG    1       -5.344   1.826   1.461  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -5.137   1.365   0.021  0.00  0.00    +0.081 C 
ENDBRANCH  21  23
BRANCH  21  24
ATOM     24  C   LIG    1       -4.092  -0.818   0.520  0.00  0.00    +0.081 C 
ATOM     25  C   LIG    1       -5.351  -1.623   0.211  0.00  0.00    +0.020 C 
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 6