REMARK  Name = BDB013184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.771  -0.079  -1.065  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.793   0.898  -1.384  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.540   0.722  -0.850  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.179   1.812  -1.244  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.558   2.577  -2.017  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.198  -0.370  -0.046  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.105  -1.259   0.260  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.807   1.999  -2.107  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.371  -1.094  -0.269  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.096   0.703   0.693  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1        5.251   0.295  -0.743  0.00  0.00    -0.024 A 
ATOM     12  C   LIG    1        4.162  -0.060  -1.558  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        4.399  -0.408  -2.891  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        5.701  -0.413  -3.351  0.00  0.00    +0.214 A 
ATOM     15  F   LIG    1        5.925  -0.759  -4.627  0.00  0.00    -0.184 F 
ATOM     16  N   LIG    1        6.770  -0.107  -2.593  0.00  0.00    -0.227 NA
ATOM     17  C   LIG    1        6.520   0.245  -1.314  0.00  0.00    +0.117 A 
ENDBRANCH   1  12
BRANCH   6  18
ATOM     18  N   LIG    1       -1.079  -0.512   0.454  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.040  -1.245   1.164  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.170  -0.851  -0.460  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.445  -1.021   0.313  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.088   0.039   0.946  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.754   1.484   0.981  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -4.716   1.938   2.079  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -5.802   0.989   2.176  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.283  -0.156   1.630  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -5.889  -1.392   1.721  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.256  -2.471   1.107  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.052  -2.280   0.416  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.477  -3.342  -0.166  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4