REMARK  Name = BDB063953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.509  -1.209  -2.851  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.428  -0.743  -1.733  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -0.784  -0.309  -0.987  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.014  -0.434  -1.502  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.410   0.191   0.242  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.884   0.068   0.266  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        1.421  -0.479  -0.847  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        2.397  -0.590  -1.057  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.280  -0.053  -0.856  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -4.416  -0.838  -1.111  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -5.643  -0.471  -0.528  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.766   0.658   0.285  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -7.036   0.893   0.788  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -7.854  -0.041   0.361  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -4.625   1.447   0.519  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -7.179  -1.244  -0.652  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -3.398   1.088  -0.057  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        1.638   0.468   1.323  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1        1.033   0.771   2.082  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.805  -0.246   1.807  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.997  -0.088   0.893  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        4.405   1.180   0.454  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        5.507   1.318  -0.392  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.218   0.192  -0.800  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.831  -1.073  -0.361  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.729  -1.213   0.485  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4