REMARK  Name = BDB046918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.505  -1.091   0.518  0.00  0.00    +0.081 A 
ATOM      2  C   LIG    1        2.418  -0.291  -0.178  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1        3.551   0.117   0.530  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        4.530   0.964  -0.172  0.00  0.00    +0.259 A 
ATOM      5  N   LIG    1        4.223   1.272  -1.471  0.00  0.00    -0.313 N 
ATOM      6  H   LIG    1        4.888   1.853  -1.963  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        3.093   0.827  -2.088  0.00  0.00    +0.199 A 
ATOM      8  O   LIG    1        5.552   1.367   0.369  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        3.766  -0.254   1.855  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        2.812  -1.050   2.450  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1        2.205   0.084  -1.523  0.00  0.00    -0.235 NA
ATOM     12  N   LIG    1        1.700  -1.476   1.817  0.00  0.00    -0.256 NA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        0.227  -1.582  -0.147  0.00  0.00    +0.142 C 
BRANCH  13  18
ATOM     14  C   LIG    1       -4.729   1.263  -0.095  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1       -3.511   0.551  -0.472  0.00  0.00    -0.303 NA
ATOM     16  C   LIG    1       -2.315   1.280  -0.005  0.00  0.00    +0.099 C 
ATOM     17  C   LIG    1       -1.004   0.523  -0.324  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1       -0.993  -0.840   0.243  0.00  0.00    -0.294 NA
ATOM     19  C   LIG    1       -2.193  -1.565  -0.221  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -3.500  -0.807   0.105  0.00  0.00    +0.099 C 
ENDBRANCH  13  18
ENDBRANCH   1  13
TORSDOF 2