REMARK  Name = BDB049080
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.744   1.524   0.914  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1       -1.494   0.248   1.395  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1       -2.975   0.583   1.127  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1       -2.901   1.358  -0.115  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1       -1.802   2.307   0.105  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        2.903   0.540  -1.188  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        2.969   0.974   0.145  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1        4.281   1.107   0.863  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        1.770   1.288   0.803  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        0.528   1.188   0.149  0.00  0.00    -0.041 A 
ATOM     11  C   LIG    1        0.496   0.748  -1.183  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        1.678   0.434  -1.854  0.00  0.00    +0.013 A 
BRANCH   6  14
ATOM     13  N   LIG    1        4.471  -1.152  -2.063  0.00  0.00    -0.298 N 
ATOM     14  C   LIG    1        4.130   0.196  -1.934  0.00  0.00    +0.247 C 
ATOM     15  O   LIG    1        4.799   1.117  -2.397  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        3.860  -2.204  -1.258  0.00  0.00    +0.132 C 
BRANCH  13  17
ATOM     17  C   LIG    1        5.774  -1.453  -2.664  0.00  0.00    +0.135 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.945  -1.278  -1.690  0.00  0.00    +0.178 C 
BRANCH  18  20
ATOM     19  C   LIG    1        7.998  -2.202   0.206  0.00  0.00    +0.194 C 
ATOM     20  O   LIG    1        6.957  -2.359  -0.749  0.00  0.00    -0.381 OA
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  13  17
ENDBRANCH   6  14
ENDBRANCH   1  10
BRANCH   2  21
ATOM     21  N   LIG    1       -1.116  -0.215   2.751  0.00  0.00    -0.304 NA
ATOM     22  C   LIG    1       -1.593   0.633   3.841  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1       -1.550  -1.597   2.970  0.00  0.00    +0.104 C 
ENDBRANCH   2  21
BRANCH   4  24
ATOM     24  C   LIG    1       -4.150   2.028  -0.486  0.00  0.00    +0.122 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.219   1.064  -0.956  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.065   0.462  -2.216  0.00  0.00    +0.128 A 
ATOM     27  F   LIG    1       -4.008   0.770  -2.982  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -5.994  -0.445  -2.714  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -7.111  -0.771  -1.955  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -7.293  -0.182  -0.703  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -6.360   0.737  -0.189  0.00  0.00    -0.043 A 
ATOM     32  C   LIG    1       -6.622   1.352   1.159  0.00  0.00    +0.044 C 
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 8