REMARK  Name = BDB036184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.779   0.354  -1.378  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        2.369   1.718  -0.974  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        1.349   1.671   0.183  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.085   0.982  -0.173  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.302  -0.031  -1.230  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.711  -0.670  -1.250  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.559  -1.132  -0.350  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        6.044  -0.151   0.423  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.823   0.321   0.078  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.325   1.259   0.901  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        4.046  -0.125  -1.008  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.626  -1.147  -1.769  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.884  -1.656  -1.446  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        8.429  -0.045   1.860  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.690  -1.176   1.002  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        9.570  -1.663   1.113  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.910  -1.694  -0.007  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.348  -2.654  -0.644  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -0.561   0.452   1.035  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.029   0.157   0.840  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -2.957   1.200   0.754  0.00  0.00    +0.133 A 
ATOM     22  F   LIG    1       -2.540   2.469   0.878  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -4.320   0.957   0.556  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1       -5.289   2.096   0.485  0.00  0.00    +0.121 C 
ATOM     25  C   LIG    1       -6.575   1.692  -0.171  0.00  0.00    +0.184 C 
ATOM     26  C   LIG    1       -6.992   0.254   0.022  0.00  0.00    +0.118 C 
ATOM     27  N   LIG    1       -6.133  -0.680   0.311  0.00  0.00    -0.245 NA
ATOM     28  O   LIG    1       -7.297   2.453  -0.800  0.00  0.00    -0.290 OA
ATOM     29  C   LIG    1       -4.778  -0.360   0.466  0.00  0.00    +0.071 A 
ATOM     30  C   LIG    1       -3.861  -1.409   0.564  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -2.498  -1.159   0.746  0.00  0.00    +0.010 A 
BRANCH  26  32
ATOM     32  C   LIG    1       -8.476  -0.016  -0.105  0.00  0.00    +0.215 C 
ATOM     33  F   LIG    1       -9.148   0.510   0.963  0.00  0.00    -0.239 F 
ATOM     34  C   LIG    1       -8.812  -1.496  -0.174  0.00  0.00    +0.050 C 
ENDBRANCH  26  32
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5