REMARK  Name = BDB008481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.229  -1.874  -1.636  0.00  0.00    +0.135 C 
ATOM      2  N   LIG    1        1.130  -0.997  -1.293  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        1.280   0.275  -0.641  0.00  0.00    +0.167 C 
ATOM      4  C   LIG    1       -0.173   0.663  -0.444  0.00  0.00    +0.022 C 
ATOM      5  C   LIG    1       -1.032  -0.291  -0.852  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1       -0.188  -1.403  -1.362  0.00  0.00    +0.250 C 
ATOM      7  O   LIG    1       -0.587  -2.477  -1.776  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -2.455  -0.314  -0.851  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -3.321  -1.345  -0.373  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -4.632  -0.898  -0.563  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -5.754  -1.653  -0.196  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -5.527  -2.903   0.385  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -4.238  -3.382   0.591  0.00  0.00    +0.021 A 
ATOM     14 CL   LIG    1       -6.875  -3.868   0.855  0.00  0.00    -0.083 Cl
ATOM     15  N   LIG    1       -4.559   0.346  -1.147  0.00  0.00    -0.360 N 
ATOM     16  H   LIG    1       -5.359   0.907  -1.406  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1       -3.129  -2.613   0.219  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -3.251   0.711  -1.321  0.00  0.00    +0.092 A 
ENDBRANCH   5   8
BRANCH   4  19
ATOM     19  C   LIG    1       -0.549   1.942   0.185  0.00  0.00    -0.017 A 
ATOM     20  C   LIG    1       -1.354   1.953   1.336  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -1.707   3.158   1.951  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.254   4.362   1.422  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -1.688   5.846   2.175  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -0.450   4.371   0.285  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.099   3.165  -0.330  0.00  0.00    +0.010 A 
ENDBRANCH   4  19
BRANCH   3  26
ATOM     26  O   LIG    1        1.867   1.142  -1.591  0.00  0.00    -0.367 OA
ATOM     27  H   LIG    1        1.674   0.718  -2.444  0.00  0.00    +0.212 HD
ENDBRANCH   3  26
BRANCH   3  28
ATOM     28  C   LIG    1        2.037   0.273   0.717  0.00  0.00    +0.095 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.501  -0.124   0.712  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1        4.454   0.647   0.030  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        5.803   0.285   0.043  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        6.211  -0.843   0.749  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1        7.872  -1.290   0.764  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        5.281  -1.610   1.447  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        3.932  -1.248   1.434  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   3  28
TORSDOF 5