REMARK  Name = BDB017028
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.135   0.065  -0.337  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        2.094   1.160  -1.178  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        0.838   1.272  -1.547  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.064   0.304  -0.976  0.00  0.00    -0.336 N 
ATOM      5  C   LIG    1        0.873  -0.480  -0.206  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        5.690  -0.302   0.734  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        4.559   0.205   0.094  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        3.344  -0.429   0.309  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        3.214  -1.516   1.115  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        4.326  -1.982   1.719  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        5.576  -1.417   1.563  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        8.054  -0.082   1.090  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        7.028   0.307   0.564  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        7.019   1.372  -0.254  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.952   1.670  -0.275  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -1.362   0.133  -1.164  0.00  0.00    +0.127 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.168   0.858  -0.085  0.00  0.00    +0.057 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.660   0.676  -0.280  0.00  0.00    -0.034 A 
ATOM     19  C   LIG    1       -4.400  -0.327   0.389  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1       -5.782  -0.433   0.139  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -6.419   0.424  -0.758  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -5.688   1.405  -1.417  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.320   1.531  -1.181  0.00  0.00    +0.004 A 
BRANCH  19  24
ATOM     24  C   LIG    1       -3.761  -1.278   1.380  0.00  0.00    +0.418 C 
ATOM     25  F   LIG    1       -2.657  -1.896   0.875  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -3.353  -0.649   2.517  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -4.588  -2.281   1.787  0.00  0.00    -0.166 F 
ENDBRANCH  19  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 7