REMARK  Name = BDB047817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.394  -0.955   0.081  0.00  0.00    +0.248 A 
ATOM      2  C   LIG    1       -1.025  -0.919   0.104  0.00  0.00    +0.134 A 
ATOM      3  N   LIG    1       -1.615  -1.788   0.969  0.00  0.00    -0.229 N 
ATOM      4  C   LIG    1       -2.974  -1.657   0.896  0.00  0.00    +0.159 A 
ATOM      5  C   LIG    1       -3.249  -0.681  -0.035  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1       -0.951  -2.642   1.770  0.00  0.00    -0.155 NA
ATOM      7  C   LIG    1        0.341  -2.585   1.659  0.00  0.00    +0.247 A 
ATOM      8  C   LIG    1       -2.011  -0.201  -0.553  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -1.832   0.856  -1.582  0.00  0.00    +0.050 C 
ATOM     10  N   LIG    1        1.064  -1.769   0.826  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        0.939  -0.062  -0.824  0.00  0.00    -0.433 OA
BRANCH  11  19
ATOM     12  C   LIG    1        7.919   1.632   1.062  0.00  0.00    +0.063 C 
ATOM     13  C   LIG    1        6.579   1.223   0.577  0.00  0.00    +0.014 A 
ATOM     14  N   LIG    1        6.413   0.535  -0.601  0.00  0.00    -0.358 N 
ATOM     15  H   LIG    1        7.161   0.252  -1.219  0.00  0.00    +0.166 HD
ATOM     16  C   LIG    1        5.078   0.281  -0.827  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        4.370   0.826   0.247  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        2.970   0.704   0.259  0.00  0.00    +0.175 A 
ATOM     19  C   LIG    1        2.337   0.033  -0.791  0.00  0.00    +0.166 A 
ATOM     20  C   LIG    1        3.055  -0.488  -1.864  0.00  0.00    +0.051 A 
ATOM     21  F   LIG    1        2.247   1.230   1.259  0.00  0.00    -0.201 F 
ATOM     22  C   LIG    1        4.449  -0.378  -1.895  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        5.325   1.417   1.120  0.00  0.00    +0.033 A 
ENDBRANCH  11  19
ENDBRANCH   1  11
BRANCH   5  24
ATOM     24  O   LIG    1       -4.459  -0.224  -0.432  0.00  0.00    -0.488 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -5.580  -0.787   0.261  0.00  0.00    +0.260 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -6.862  -0.134  -0.273  0.00  0.00    +0.149 C 
ATOM     27  C   LIG    1       -6.880   1.377  -0.075  0.00  0.00    +0.041 C 
BRANCH  26  28
ATOM     28  O   LIG    1       -6.998  -0.406  -1.671  0.00  0.00    -0.389 OA
ATOM     29  H   LIG    1       -6.137  -0.187  -2.075  0.00  0.00    +0.210 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 6