REMARK  Name = BDB047836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.894   1.765  -0.057  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1        0.461   1.677   0.341  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1        1.256   2.820   0.564  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        0.708   4.088   0.383  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1       -0.621   4.224  -0.013  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -1.396   3.076  -0.225  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.733  -2.957  -0.161  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -3.639  -1.599  -0.691  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -3.741  -0.611   0.404  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -3.171   0.780   0.043  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1       -1.737   0.694  -0.312  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -1.269  -0.631  -0.753  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -2.401  -1.402  -1.476  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  C   LIG    1        1.135   0.396   0.647  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1        2.045   0.014  -0.319  0.00  0.00    -0.279 N 
ATOM     16  H   LIG    1        2.137   0.606  -1.140  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        0.870  -0.178   1.694  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.857  -1.140  -0.322  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1        3.688  -1.333  -1.436  0.00  0.00    +0.147 A 
ATOM     20  F   LIG    1        3.672  -0.431  -2.431  0.00  0.00    -0.203 F 
ATOM     21  C   LIG    1        4.526  -2.436  -1.542  0.00  0.00    +0.078 A 
ATOM     22  C   LIG    1        4.534  -3.364  -0.513  0.00  0.00    +0.126 A 
ATOM     23  F   LIG    1        5.335  -4.434  -0.597  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        3.723  -3.202   0.606  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        2.881  -2.087   0.704  0.00  0.00    +0.029 A 
ENDBRANCH  15  18
ENDBRANCH   2  14
BRANCH   4  26
ATOM     26  N   LIG    1        1.530   5.281   0.609  0.00  0.00    +0.056 N 
ATOM     27  O   LIG    1        2.738   5.111   0.826  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1        0.970   6.385   0.561  0.00  0.00    -0.126 OA
ENDBRANCH   4  26
TORSDOF 4