REMARK  Name = BDB048169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.481   0.462   0.021  0.00  0.00    +0.056 A 
ATOM      2  C   LIG    1       -0.666  -0.941   0.098  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        0.430  -1.783  -0.121  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1        1.687  -1.248  -0.415  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        1.866   0.140  -0.493  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1        0.775   0.994  -0.274  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -1.960  -1.436   0.399  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -2.035  -2.148   1.701  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -2.333  -3.656   1.541  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -3.527  -3.987   0.732  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -4.697  -4.245   1.569  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -3.823  -2.931  -0.263  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -2.564  -2.175  -0.738  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     14  C   LIG    1       -1.766   2.603   0.277  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1       -1.635   1.236   0.264  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1       -2.442   0.653   0.478  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -0.890   3.428   0.045  0.00  0.00    -0.270 OA
BRANCH  14  22
ATOM     18  C   LIG    1       -6.223   2.733   2.783  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1       -5.285   3.183   1.699  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.985   2.651   1.558  0.00  0.00    +0.059 A 
ATOM     21 CL   LIG    1       -3.439   1.468   2.705  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1       -3.144   3.108   0.525  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1       -3.590   4.120  -0.342  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -4.868   4.651  -0.202  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -5.699   4.179   0.806  0.00  0.00    +0.128 A 
ATOM     26  F   LIG    1       -6.926   4.709   0.916  0.00  0.00    -0.205 F 
ENDBRANCH  14  22
ENDBRANCH   1  15
BRANCH   5  27
ATOM     27  C   LIG    1        3.188   0.751  -0.807  0.00  0.00    +0.340 C 
ATOM     28  O   LIG    1        3.374   1.951  -0.922  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1        4.133  -0.215  -0.943  0.00  0.00    -0.458 OA
BRANCH  29  30
ATOM     30  C   LIG    1        5.463   0.241  -1.251  0.00  0.00    +0.177 C 
ATOM     31  C   LIG    1        6.442  -0.844  -0.779  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1        7.769  -0.849  -1.540  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1        8.093   0.512  -2.142  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1        7.009   0.974  -3.119  0.00  0.00    +0.004 C 
ATOM     35  C   LIG    1        5.608   0.482  -2.753  0.00  0.00    +0.044 C 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH   5  27
TORSDOF 6