REMARK  Name = BDB047095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.478  -0.757   1.089  0.00  0.00    +0.055 A 
ATOM      2  N   LIG    1        2.798  -1.698   2.013  0.00  0.00    -0.259 NA
ATOM      3  C   LIG    1        4.001  -1.593   2.615  0.00  0.00    +0.111 A 
ATOM      4  C   LIG    1        4.919  -0.593   2.340  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        4.586   0.376   1.393  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1        3.346   0.282   0.752  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        1.123  -0.872   0.415  0.00  0.00    +0.137 C 
BRANCH   7   8
ATOM      8  N   LIG    1        0.295   0.318   0.627  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.158   0.461   1.633  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -1.031   0.162   0.004  0.00  0.00    +0.178 C 
BRANCH  10  12
ATOM     11  N   LIG    1       -3.240   1.370  -0.054  0.00  0.00    -0.299 N 
ATOM     12  C   LIG    1       -2.017   1.191   0.598  0.00  0.00    +0.229 C 
ATOM     13  O   LIG    1       -1.740   1.810   1.631  0.00  0.00    -0.274 OA
BRANCH  11  15
ATOM     14  C   LIG    1       -4.967   1.813   1.692  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -4.174   2.346   0.509  0.00  0.00    +0.104 C 
ENDBRANCH  11  15
BRANCH  11  16
ATOM     16  C   LIG    1       -3.721   0.508  -1.143  0.00  0.00    +0.123 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.404  -0.784  -0.646  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -4.566  -1.801  -1.703  0.00  0.00    -0.307 NA
ATOM     19  C   LIG    1       -5.528  -1.380  -2.724  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -5.001  -3.071  -1.112  0.00  0.00    +0.104 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  11  16
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   5  21
ATOM     21  C   LIG    1        5.550   1.469   1.032  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  N   LIG    1        6.332   1.097  -0.122  0.00  0.00    -0.304 N 
ATOM     23  H   LIG    1        6.310   0.135  -0.447  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        7.255   1.973  -0.678  0.00  0.00    +0.318 C 
ATOM     25  O   LIG    1        7.404   3.115  -0.241  0.00  0.00    -0.266 OA
BRANCH  24  26
ATOM     26  C   LIG    1        8.050   1.402  -1.874  0.00  0.00    +0.469 C 
ATOM     27  F   LIG    1        7.738   2.016  -3.048  0.00  0.00    -0.162 F 
ATOM     28  F   LIG    1        7.797   0.072  -2.060  0.00  0.00    -0.162 F 
ATOM     29  F   LIG    1        9.396   1.514  -1.713  0.00  0.00    -0.162 F 
ENDBRANCH  24  26
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 11