REMARK  Name = BDB031553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.060   0.087   1.128  0.00  0.00    +0.204 C 
ATOM      2  C   LIG    1        0.841  -1.052   0.083  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1        1.279  -2.449   0.484  0.00  0.00    +0.028 C 
ATOM      4  N   LIG    1       -0.625  -0.865   0.266  0.00  0.00    -0.288 NA
ATOM      5  C   LIG    1       -0.365   0.529   0.704  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  O   LIG    1        2.101   1.052   0.850  0.00  0.00    -0.484 OA
BRANCH   6  10
ATOM      7  C   LIG    1        6.098   0.113   1.149  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1        5.685   1.073   0.283  0.00  0.00    -0.247 NA
ATOM      9  C   LIG    1        4.356   1.328   0.243  0.00  0.00    +0.157 A 
ATOM     10  C   LIG    1        3.404   0.667   1.008  0.00  0.00    +0.139 A 
ATOM     11  C   LIG    1        3.849  -0.301   1.898  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        5.213  -0.588   1.967  0.00  0.00    +0.036 A 
BRANCH   7  16
ATOM     13  C   LIG    1        8.348   1.609  -0.352  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        8.518   0.476   0.524  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        9.457   0.135   0.685  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.562  -0.219   1.232  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        7.937  -1.143   1.957  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   6  10
ENDBRANCH   1   6
BRANCH   4  18
ATOM     18  C   LIG    1       -1.315  -0.894  -1.028  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.789  -0.615  -0.882  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1       -3.374   0.540  -1.415  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -4.739   0.741  -1.246  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1       -5.480  -0.216  -0.552  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1       -6.910  -0.002  -0.371  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1       -7.507   1.100  -0.861  0.00  0.00    +0.084 A 
ATOM     25  C   LIG    1       -6.723   2.105  -1.627  0.00  0.00    +0.258 A 
ATOM     26  O   LIG    1       -7.252   3.089  -2.131  0.00  0.00    -0.267 OA
ATOM     27  N   LIG    1       -4.950  -1.338  -0.028  0.00  0.00    -0.253 NA
ATOM     28  N   LIG    1       -5.376   1.875  -1.763  0.00  0.00    -0.320 N 
ATOM     29  H   LIG    1       -4.854   2.570  -2.280  0.00  0.00    +0.169 HD
ATOM     30  C   LIG    1       -3.618  -1.508  -0.200  0.00  0.00    +0.116 A 
BRANCH  24  31
ATOM     31  C   LIG    1       -8.954   1.415  -0.724  0.00  0.00    +0.377 C 
ATOM     32  F   LIG    1       -9.663   0.320  -0.323  0.00  0.00    -0.204 F 
ATOM     33  F   LIG    1       -9.159   2.353   0.239  0.00  0.00    -0.204 F 
ENDBRANCH  24  31
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6