REMARK  Name = BDB041306
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.364  -0.084   0.187  0.00  0.00    +0.010 A 
ATOM      2  C   LIG    1        0.824  -1.101  -0.632  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -0.554  -1.374  -0.576  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -1.028  -2.416  -1.377  0.00  0.00    +0.146 A 
ATOM      5  N   LIG    1       -0.252  -3.139  -2.215  0.00  0.00    -0.157 NA
ATOM      6  N   LIG    1        1.066  -2.864  -2.289  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1       -1.370  -0.603   0.284  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1       -0.855   0.362   1.072  0.00  0.00    -0.239 NA
ATOM      9  C   LIG    1        1.580  -1.882  -1.514  0.00  0.00    +0.144 A 
ATOM     10  C   LIG    1        0.475   0.597   1.011  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        5.536   0.920   0.239  0.00  0.00    -0.034 A 
ATOM     12  C   LIG    1        4.653   1.582  -0.624  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        3.294   1.259  -0.639  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        2.788   0.263   0.207  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1        3.673  -0.400   1.070  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        5.033  -0.077   1.085  0.00  0.00    +0.005 A 
BRANCH  11  17
ATOM     17  C   LIG    1        7.005   1.273   0.245  0.00  0.00    +0.116 C 
BRANCH  17  19
ATOM     18  C   LIG    1        9.065   1.170  -0.993  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1        7.640   0.875  -1.010  0.00  0.00    -0.315 NA
ATOM     20  H   LIG    1        7.502  -0.126  -1.145  0.00  0.00    +0.122 HD
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   7  21
ATOM     21  N   LIG    1       -2.756  -0.844   0.328  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -3.145  -0.732  -0.603  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.485  -0.046   1.310  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.954  -0.345   1.192  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.770   0.280   0.253  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.462   1.360  -0.717  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.733   1.302  -1.565  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.792   0.699  -0.789  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -7.124  -0.020   0.168  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.728  -0.945   0.996  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.926  -1.596   1.933  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.559  -1.298   2.022  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.829  -1.940   2.945  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 6