REMARK  Name = BDB049851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.262  -1.752  -0.155  0.00  0.00    -0.342 N 
ATOM      2  C   LIG    1       -1.065  -1.710  -1.280  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -2.333  -1.283  -0.861  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -3.360  -1.174  -1.823  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -3.095  -1.471  -3.163  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.827  -1.879  -3.557  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.257  -1.065   0.547  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.792  -2.008  -2.626  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -0.987  -1.397   0.958  0.00  0.00    +0.095 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -3.275  -0.631   1.446  0.00  0.00    +0.030 C 
ATOM     11  C   LIG    1       -3.951   0.524   1.408  0.00  0.00    +0.080 C 
ATOM     12  C   LIG    1       -4.977   0.859   2.429  0.00  0.00    +0.258 C 
ATOM     13  O   LIG    1       -5.318   0.141   3.355  0.00  0.00    -0.269 OA
ATOM     14  N   LIG    1       -5.490   2.097   2.180  0.00  0.00    -0.243 N 
ATOM     15  H   LIG    1       -6.200   2.495   2.771  0.00  0.00    +0.159 HD
ATOM     16  C   LIG    1       -5.009   2.786   1.115  0.00  0.00    +0.283 C 
ATOM     17  O   LIG    1       -5.366   3.898   0.766  0.00  0.00    -0.262 OA
ATOM     18  S   LIG    1       -3.788   1.835   0.298  0.00  0.00    -0.026 S 
ENDBRANCH   7  10
BRANCH   1  19
ATOM     19  C   LIG    1        1.137  -2.166  -0.112  0.00  0.00    +0.157 C 
BRANCH  19  23
ATOM     20  C   LIG    1        3.835   1.170   0.484  0.00  0.00    -0.048 A 
ATOM     21  C   LIG    1        3.036   1.101  -0.662  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        2.163   0.029  -0.856  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        2.070  -0.998   0.095  0.00  0.00    -0.028 A 
ATOM     24  C   LIG    1        2.879  -0.932   1.237  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        3.754   0.141   1.429  0.00  0.00    +0.004 A 
BRANCH  20  27
ATOM     26  C   LIG    1        6.155   2.034   0.082  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        4.788   2.320   0.685  0.00  0.00    +0.032 C 
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 4