REMARK  Name = BDB048552
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.092  -2.398   0.502  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        0.274  -2.029   0.389  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        1.262  -3.013   0.530  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        0.909  -4.339   0.787  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -0.444  -4.686   0.903  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -1.450  -3.722   0.762  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        0.585  -0.668   0.136  0.00  0.00    -0.325 N 
ATOM      8  C   LIG    1        1.273  -0.027   1.286  0.00  0.00    +0.124 C 
ATOM      9  C   LIG    1        1.795   1.381   0.918  0.00  0.00    +0.125 C 
ATOM     10  N   LIG    1        2.701   1.350  -0.248  0.00  0.00    -0.312 N 
ATOM     11  C   LIG    1        2.694   0.102  -1.036  0.00  0.00    +0.125 C 
ATOM     12  C   LIG    1        1.259  -0.451  -1.177  0.00  0.00    +0.124 C 
BRANCH  10  13
ATOM     13  C   LIG    1        3.951   1.953  -0.108  0.00  0.00    +0.121 A 
ATOM     14  N   LIG    1        5.047   1.306  -0.562  0.00  0.00    -0.240 NA
ATOM     15  C   LIG    1        6.253   1.907  -0.437  0.00  0.00    +0.113 A 
ATOM     16  C   LIG    1        6.438   3.155   0.123  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        5.317   3.831   0.574  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        4.065   3.227   0.453  0.00  0.00    +0.043 A 
ENDBRANCH  10  13
ENDBRANCH   2   7
BRANCH   1  20
ATOM     19  C   LIG    1       -3.389  -1.395   0.366  0.00  0.00    +0.250 C 
ATOM     20  N   LIG    1       -2.016  -1.347   0.326  0.00  0.00    -0.280 N 
ATOM     21  H   LIG    1       -1.552  -0.466   0.110  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1       -4.079  -2.376   0.618  0.00  0.00    -0.270 OA
BRANCH  19  27
ATOM     23  C   LIG    1       -4.197   3.023  -2.076  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1       -4.477   2.027  -0.986  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -3.777   0.806  -0.883  0.00  0.00    +0.059 A 
ATOM     26 CL   LIG    1       -2.584   0.422  -2.084  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1       -4.078  -0.094   0.158  0.00  0.00    +0.056 A 
ATOM     28  C   LIG    1       -5.102   0.210   1.070  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1       -5.799   1.410   0.968  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -5.480   2.303  -0.049  0.00  0.00    +0.128 A 
ATOM     31  F   LIG    1       -6.167   3.452  -0.122  0.00  0.00    -0.205 F 
ENDBRANCH  19  27
ENDBRANCH   1  20
BRANCH   5  32
ATOM     32  N   LIG    1       -0.806  -6.083   1.177  0.00  0.00    +0.056 N 
ATOM     33  O   LIG    1       -1.998  -6.345   1.389  0.00  0.00    -0.126 OA
ATOM     34  O   LIG    1        0.108  -6.921   1.185  0.00  0.00    -0.126 OA
ENDBRANCH   5  32
TORSDOF 5