REMARK  Name = BDB051598
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.877  -0.698   0.400  0.00  0.00    -0.236 N 
ATOM      2  N   LIG    1       -1.734   0.168  -0.225  0.00  0.00    -0.166 NA
ATOM      3  C   LIG    1       -2.977  -0.182   0.160  0.00  0.00    +0.105 A 
ATOM      4  C   LIG    1       -2.880  -1.304   1.054  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -3.918  -1.979   1.683  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -5.160  -1.420   1.337  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -5.331  -0.313   0.461  0.00  0.00    +0.053 A 
ATOM      8  F   LIG    1       -6.263  -1.969   1.871  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -4.245   0.350  -0.163  0.00  0.00    +0.067 A 
ATOM     10  C   LIG    1       -1.555  -1.605   1.186  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        3.300  -0.280  -0.282  0.00  0.00    -0.031 A 
ATOM     12  C   LIG    1        2.818  -1.283   0.569  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1        1.448  -1.427   0.798  0.00  0.00    +0.149 A 
ATOM     14  F   LIG    1        1.073  -2.411   1.625  0.00  0.00    -0.203 F 
ATOM     15  C   LIG    1        0.525  -0.577   0.186  0.00  0.00    +0.100 A 
ATOM     16  C   LIG    1        1.006   0.431  -0.667  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        2.379   0.577  -0.897  0.00  0.00    +0.007 A 
BRANCH  11  18
ATOM     18  C   LIG    1        4.783  -0.119  -0.517  0.00  0.00    +0.116 C 
BRANCH  18  20
ATOM     19  C   LIG    1        5.225   1.912   0.745  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.490   0.487   0.610  0.00  0.00    -0.315 NA
ATOM     21  H   LIG    1        5.235   0.009   1.472  0.00  0.00    +0.122 HD
ENDBRANCH  18  20
ENDBRANCH  11  18
ENDBRANCH   1  15
BRANCH   9  22
ATOM     22  C   LIG    1       -4.468   1.492  -1.063  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1       -5.598   1.902  -1.298  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1       -3.370   2.074  -1.623  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -3.496   2.858  -2.246  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -2.433   1.730  -1.428  0.00  0.00    +0.145 HD
ENDBRANCH   9  22
TORSDOF 4