REMARK  Name = BDB053365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.015  -2.374   0.542  0.00  0.00    +0.221 C 
ATOM      2  N   LIG    1       -0.809  -2.404  -0.622  0.00  0.00    -0.294 N 
ATOM      3  O   LIG    1        0.265  -3.393   1.177  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1        1.814  -0.653   0.150  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.559  -1.015   0.993  0.00  0.00    +0.096 C 
ATOM      6  C   LIG    1        0.807  -0.980   2.517  0.00  0.00    +0.094 C 
ATOM      7  N   LIG    1        2.091  -1.507   2.975  0.00  0.00    -0.315 NA
ATOM      8  H   LIG    1        2.193  -1.351   3.976  0.00  0.00    +0.122 HD
ATOM      9  C   LIG    1        3.217  -0.940   2.254  0.00  0.00    +0.081 C 
ATOM     10  C   LIG    1        3.090  -1.255   0.770  0.00  0.00    +0.024 C 
BRANCH   4  16
ATOM     11  C   LIG    1        2.698   4.828  -1.482  0.00  0.00    +0.152 C 
ATOM     12  N   LIG    1        2.457   3.477  -1.006  0.00  0.00    -0.318 N 
ATOM     13  C   LIG    1        1.642   3.279   0.103  0.00  0.00    +0.251 A 
ATOM     14  O   LIG    1        1.093   4.171   0.744  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        1.439   1.861   0.518  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        2.003   0.839  -0.152  0.00  0.00    -0.037 A 
ATOM     17  C   LIG    1        2.823   1.154  -1.313  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        3.022   2.421  -1.694  0.00  0.00    +0.089 A 
ENDBRANCH   4  16
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1       -1.360  -3.646  -1.166  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1       -1.792  -4.822  -0.336  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -0.583  -4.932  -1.226  0.00  0.00    +0.024 C 
ENDBRANCH   2  19
BRANCH   2  22
ATOM     22  C   LIG    1       -1.245  -1.183  -1.329  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.406  -0.537  -0.632  0.00  0.00    -0.002 A 
ATOM     24  C   LIG    1       -2.645   0.875  -0.551  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -3.796   1.067   0.214  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1       -4.299   2.340   0.517  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -3.602   3.451   0.027  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.455   3.294  -0.747  0.00  0.00    +0.039 A 
ATOM     29  N   LIG    1       -4.262  -0.178   0.562  0.00  0.00    -0.360 N 
ATOM     30  H   LIG    1       -5.088  -0.348   1.120  0.00  0.00    +0.165 HD
ATOM     31  C   LIG    1       -1.982   2.017  -1.043  0.00  0.00    +0.133 A 
ATOM     32  F   LIG    1       -0.882   1.889  -1.799  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -3.439  -1.148   0.056  0.00  0.00    +0.089 A 
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 5