REMARK  Name = BDB034439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.340  -0.829  -0.692  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.013  -0.916  -1.404  0.00  0.00    +0.083 C 
BRANCH   2   3
ATOM      3  N   LIG    1       -2.028  -0.002  -0.885  0.00  0.00    -0.312 NA
ATOM      4  H   LIG    1       -2.829  -0.004  -1.521  0.00  0.00    +0.122 HD
BRANCH   3   5
ATOM      5  C   LIG    1       -2.537  -0.416   0.429  0.00  0.00    +0.123 C 
BRANCH   5   7
ATOM      6  C   LIG    1       -4.923   0.484   0.391  0.00  0.00    +0.127 A 
ATOM      7  C   LIG    1       -3.615   0.523   0.912  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -3.310   1.474   1.893  0.00  0.00    +0.131 A 
ATOM      9  F   LIG    1       -2.074   1.536   2.412  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -4.267   2.367   2.364  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -5.558   2.322   1.850  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -5.885   1.384   0.867  0.00  0.00    +0.046 A 
BRANCH   6  14
ATOM     13  C   LIG    1       -6.464  -0.538  -1.120  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -5.152  -0.463  -0.575  0.00  0.00    -0.495 OA
ENDBRANCH   6  14
ENDBRANCH   5   7
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.938   0.579  -0.733  0.00  0.00    +0.103 C 
BRANCH  15  16
ATOM     16  N   LIG    1        2.254   0.614  -0.091  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1        2.187   0.391   0.898  0.00  0.00    +0.146 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.412   0.092  -0.688  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        4.617  -0.038   0.067  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        5.763  -0.547  -0.593  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1        6.945  -0.712   0.114  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        7.037  -0.373   1.460  0.00  0.00    +0.043 A 
ATOM     23  C   LIG    1        5.939   0.148   2.126  0.00  0.00    +0.021 A 
ATOM     24 CL   LIG    1        8.523  -0.589   2.300  0.00  0.00    -0.083 Cl
ATOM     25  N   LIG    1        5.774  -0.876  -1.891  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1        4.644  -0.681  -2.595  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1        4.739   0.316   1.435  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        3.469  -0.197  -2.052  0.00  0.00    +0.043 A 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8