REMARK  Name = BDB030850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.015  -1.152  -1.316  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -0.472  -1.247  -2.610  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -1.818  -1.000  -2.756  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -2.640  -0.678  -1.739  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.103  -0.607  -0.518  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -0.809  -0.819  -0.272  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.536   0.713   0.911  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        4.624  -0.607   0.455  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        3.488  -1.179  -0.140  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        2.286  -0.493  -0.296  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        1.372  -1.380  -0.946  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1        2.028  -2.581  -1.129  0.00  0.00    +0.093 A 
ATOM     13  C   LIG    1        2.211   0.834   0.170  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1        3.306  -2.443  -0.653  0.00  0.00    -0.360 N 
ATOM     15  H   LIG    1        4.015  -3.164  -0.658  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1        3.336   1.419   0.768  0.00  0.00    +0.024 A 
BRANCH   7  19
ATOM     17  C   LIG    1        7.753   1.949   2.450  0.00  0.00    +0.109 C 
ATOM     18  C   LIG    1        6.884   0.921   1.769  0.00  0.00    +0.214 C 
ATOM     19  N   LIG    1        5.607   1.396   1.528  0.00  0.00    -0.286 N 
ATOM     20  H   LIG    1        5.414   2.346   1.818  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        7.334  -0.179   1.470  0.00  0.00    -0.276 OA
ENDBRANCH   7  19
ENDBRANCH   1  11
BRANCH   2  22
ATOM     22  C   LIG    1        0.375  -1.580  -3.781  0.00  0.00    +0.421 C 
ATOM     23  F   LIG    1        1.522  -0.854  -3.858  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        0.743  -2.891  -3.821  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -0.263  -1.357  -4.969  0.00  0.00    -0.166 F 
ENDBRANCH   2  22
BRANCH   5  26
ATOM     26  N   LIG    1       -2.876  -0.297   0.588  0.00  0.00    -0.309 N 
ATOM     27  H   LIG    1       -2.216  -0.043   1.316  0.00  0.00    +0.149 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -3.979   0.633   0.365  0.00  0.00    +0.087 C 
ATOM     29  C   LIG    1       -4.190   1.508   1.628  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1       -5.349   2.407   1.533  0.00  0.00    -0.314 NA
ATOM     31  H   LIG    1       -5.206   3.052   0.756  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -6.573   1.639   1.292  0.00  0.00    +0.081 C 
ATOM     33  C   LIG    1       -6.475   0.793   0.024  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1       -5.270  -0.145   0.069  0.00  0.00    +0.025 C 
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 5