REMARK  Name = BDB063148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.144  -1.204  -3.760  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.046  -0.907  -2.587  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        2.118  -0.722  -1.574  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.413  -0.868  -1.879  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.548  -0.380  -0.366  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.268  -0.353  -0.598  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.077  -0.653  -1.869  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.995  -0.692  -2.268  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.556  -0.696  -0.968  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.500  -1.076   0.382  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.644  -0.913   1.184  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.837  -0.397   0.674  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.879  -0.295   1.582  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.478  -0.728   2.755  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.888  -0.035  -0.685  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.860  -1.278   2.855  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.752  -0.193  -1.491  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.624  -0.046   0.376  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -0.158   0.222   1.239  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.048   0.231   0.320  0.00  0.00    +0.035 C 
ATOM     21  C   LIG    1       -2.510   0.657   1.742  0.00  0.00    +0.029 C 
ATOM     22  C   LIG    1       -4.016   0.964   1.759  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1       -4.309   2.103   0.769  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1       -3.875   1.691  -0.647  0.00  0.00    -0.008 C 
ATOM     25  C   LIG    1       -4.643   0.426  -1.066  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -4.360  -0.720  -0.079  0.00  0.00    -0.008 C 
ATOM     27  C   LIG    1       -4.792  -0.292   1.333  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -2.365   1.391  -0.648  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1       -2.851  -1.027  -0.077  0.00  0.00    +0.029 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3