REMARK  Name = BDB063990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.623  -1.648   0.601  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.458  -2.780   1.323  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.106  -3.537   1.436  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.811  -2.816   1.801  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.346  -3.683   2.462  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.377  -1.536   1.297  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.640  -1.172   1.554  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.421  -0.877   0.555  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.317   0.053   1.098  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.698  -0.010   0.844  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.371   1.157   0.441  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.712   2.379   0.298  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        5.506   3.442  -0.104  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.742   3.026  -0.264  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        3.332   2.435   0.570  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.038   1.371   0.053  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        2.653   1.276   0.972  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.790  -1.363  -0.023  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -1.804  -0.430  -0.438  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.103  -1.762   0.456  0.00  0.00    +0.167 C 
BRANCH  20  24
ATOM     21  C   LIG    1       -5.429   1.771  -2.123  0.00  0.00    +0.066 C 
ATOM     22  C   LIG    1       -5.351   0.494  -1.369  0.00  0.00    +0.046 A 
ATOM     23  N   LIG    1       -4.125   0.104  -0.856  0.00  0.00    -0.248 NA
ATOM     24  C   LIG    1       -4.243  -1.049  -0.227  0.00  0.00    +0.096 A 
ATOM     25  S   LIG    1       -5.825  -1.717  -0.201  0.00  0.00    -0.079 S 
ATOM     26  C   LIG    1       -6.390  -0.378  -1.107  0.00  0.00    +0.070 A 
ENDBRANCH  20  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 4