REMARK  Name = BDB014071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.173  -0.378  -0.694  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1       -0.561   0.698  -0.001  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1       -2.041   0.306   0.195  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -2.778   0.073  -1.071  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -1.861  -0.365  -2.143  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -0.610  -1.140  -1.675  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        3.591   2.511   1.438  0.00  0.00    +0.130 C 
ATOM      8  N   LIG    1        4.308   1.448   0.739  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1        3.590   0.405   0.125  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1        2.221   0.487   0.019  0.00  0.00    -0.200 NA
ATOM     11  C   LIG    1        1.546  -0.450  -0.571  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1        2.174  -1.550  -1.076  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1        1.648  -2.313  -1.459  0.00  0.00    +0.172 HD
ATOM     14  C   LIG    1        3.512  -1.754  -0.967  0.00  0.00    +0.258 A 
ATOM     15  O   LIG    1        4.043  -2.789  -1.359  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        4.273  -0.659  -0.345  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1        5.763  -0.805  -0.270  0.00  0.00    +0.045 C 
ATOM     18  C   LIG    1        6.457   0.514   0.059  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        5.700   1.255   1.153  0.00  0.00    +0.106 C 
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  C   LIG    1       -3.882  -0.884  -0.878  0.00  0.00    +0.122 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.965  -0.376   0.044  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.379  -1.135   1.141  0.00  0.00    +0.128 A 
ATOM     23  F   LIG    1       -4.800  -2.318   1.395  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -6.389  -0.691   1.991  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -7.010   0.532   1.746  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -6.617   1.303   0.651  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.604   0.851  -0.197  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 3