REMARK  Name = BDB052849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.585  -0.196  -0.785  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1        0.667  -1.393  -1.550  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.371  -2.232  -1.136  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -0.493  -3.538  -1.655  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.406  -3.961  -2.640  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.417  -3.121  -3.088  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.093  -1.552  -0.151  0.00  0.00    -0.312 N 
ATOM      8  C   LIG    1        1.562  -1.843  -2.546  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.555  -0.277   0.009  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        1.497   1.663  -1.873  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        1.493   0.940  -0.880  0.00  0.00    +0.249 C 
ATOM     12  N   LIG    1        2.360   1.136   0.190  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        2.549   0.202   1.305  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        4.015   0.173   1.774  0.00  0.00    +0.100 C 
ATOM     15  N   LIG    1        4.559   1.480   2.182  0.00  0.00    -0.313 NA
ATOM     16  H   LIG    1        5.554   1.503   1.961  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        3.877   2.604   1.517  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        3.270   2.277   0.142  0.00  0.00    +0.123 C 
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  C   LIG    1       -2.182  -2.102   0.583  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -2.208  -1.990   1.980  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.272  -2.537   2.700  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.306  -3.191   2.030  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.281  -3.302   0.640  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.219  -2.760  -0.086  0.00  0.00    +0.026 A 
ENDBRANCH   7  19
BRANCH   9  25
ATOM     25  C   LIG    1       -1.213   0.815   0.822  0.00  0.00    +0.094 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.513   2.065   0.024  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -0.978   3.327   0.320  0.00  0.00    +0.047 A 
ATOM     28 CL   LIG    1        0.061   3.596   1.674  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1       -1.290   4.442  -0.470  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -2.152   4.320  -1.559  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -2.713   3.083  -1.851  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -2.398   1.979  -1.063  0.00  0.00    +0.128 A 
ATOM     33  F   LIG    1       -2.983   0.808  -1.357  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH   9  25
TORSDOF 4