REMARK  Name = BDB046146
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.642  -0.129  -1.100  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.465  -0.366  -0.838  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -2.838   0.221   0.368  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -1.455   0.340   0.579  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1       -0.933   0.931   1.727  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -1.792   1.424   2.720  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.171   1.325   2.531  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        0.435   0.940   1.700  0.00  0.00    -0.228 NA
ATOM      9  C   LIG    1        0.786   0.414   0.542  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -0.336  -0.024  -0.137  0.00  0.00    -0.322 N 
ATOM     11  C   LIG    1       -0.341  -0.804  -1.358  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -1.480  -1.811  -1.418  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -3.681   0.739   1.373  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -2.759  -1.188  -1.677  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -3.348  -1.581  -2.403  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        2.171   0.285   0.086  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        2.573   0.738  -1.179  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        3.904   0.608  -1.588  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        4.840   0.037  -0.729  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        6.477  -0.123  -1.234  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        4.461  -0.398   0.539  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        3.131  -0.267   0.946  0.00  0.00    +0.013 A 
ENDBRANCH   9  16
TORSDOF 1