REMARK  Name = BDB003044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.426  -0.662  -0.322  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1       -0.375  -1.192  -1.068  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1       -0.242  -2.573  -1.224  0.00  0.00    +0.262 A 
ATOM      4  O   LIG    1        0.657  -3.107  -1.873  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1       -1.245  -3.416  -0.556  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1       -2.238  -2.778   0.178  0.00  0.00    +0.079 A 
ATOM      7  C   LIG    1       -3.198  -3.557   0.830  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -3.160  -4.952   0.747  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.159  -5.580   0.008  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.196  -4.813  -0.647  0.00  0.00    +0.015 A 
ATOM     11  N   LIG    1       -2.317  -1.387   0.280  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -2.178   5.039   0.194  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -1.947   3.564   0.046  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -1.557   2.796   1.153  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -1.376   1.418   1.028  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -1.577   0.805  -0.210  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1       -2.010   1.550  -1.310  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -2.189   2.928  -1.180  0.00  0.00    +0.004 A 
ENDBRANCH   1  16
BRANCH   2  19
ATOM     19  C   LIG    1        0.710  -0.384  -1.648  0.00  0.00    +0.142 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.012  -0.434  -0.813  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.905   0.265   0.483  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1        2.064   1.733   0.355  0.00  0.00    +0.112 C 
ATOM     23  C   LIG    1        3.511   2.201   0.112  0.00  0.00    +0.175 C 
ATOM     24  O   LIG    1        4.407   1.690   1.105  0.00  0.00    -0.377 OA
ATOM     25  C   LIG    1        4.344   0.259   1.155  0.00  0.00    +0.175 C 
ATOM     26  C   LIG    1        2.914  -0.221   1.451  0.00  0.00    +0.112 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 4