REMARK  Name = BDB018953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.652  -0.730   0.934  0.00  0.00    -0.285 N 
ATOM      2  C   LIG    1       -0.739  -0.482   0.766  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.715  -1.218   1.463  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -3.080  -0.934   1.283  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.505   0.101   0.440  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -2.548   0.883  -0.223  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.334  -2.357   2.372  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.129  -2.279   2.772  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -1.183   0.576  -0.050  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.974  -2.038   1.530  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        5.172   0.957  -0.520  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1        3.837   0.421  -0.567  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        3.508   0.228  -1.909  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1        2.278  -0.293  -2.317  0.00  0.00    +0.064 A 
ATOM     15  N   LIG    1        1.373  -0.613  -1.355  0.00  0.00    -0.235 NA
ATOM     16  C   LIG    1        1.638  -0.412  -0.047  0.00  0.00    +0.126 A 
ATOM     17  C   LIG    1        1.882  -0.509  -3.743  0.00  0.00    +0.068 C 
ATOM     18  N   LIG    1        4.580   0.658  -2.656  0.00  0.00    -0.359 N 
ATOM     19  H   LIG    1        4.615   0.658  -3.666  0.00  0.00    +0.165 HD
ATOM     20  C   LIG    1        2.859   0.105   0.391  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        5.574   1.109  -1.836  0.00  0.00    +0.096 A 
BRANCH  11  25
ATOM     22  C   LIG    1        6.606   0.780   2.928  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        5.757   0.624   1.776  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        5.225  -0.230   1.688  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        6.011   1.327   0.618  0.00  0.00    +0.246 C 
ATOM     26  O   LIG    1        6.910   2.157   0.527  0.00  0.00    -0.270 OA
ENDBRANCH  11  25
ENDBRANCH   1  16
BRANCH   5  27
ATOM     27  C   LIG    1       -4.929   0.332   0.307  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -5.633   0.249  -0.875  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1       -6.935   0.503  -0.559  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1       -8.058   0.536  -1.464  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1       -7.133   0.736   0.753  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1       -5.911   0.615   1.280  0.00  0.00    +0.142 A 
ENDBRANCH   5  27
BRANCH   6  33
ATOM     33  C   LIG    1       -2.928   2.034  -1.120  0.00  0.00    +0.372 C 
ATOM     34  F   LIG    1       -1.898   2.900  -1.356  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1       -3.343   1.628  -2.353  0.00  0.00    -0.204 F 
ENDBRANCH   6  33
TORSDOF 4