REMARK  Name = BDB063704
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.658   0.690   0.828  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -0.690  -0.234   1.240  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.278   0.958  -0.153  0.00  0.00    +0.280 C 
ATOM      4  O   LIG    1        0.288   2.050  -0.719  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -5.663   0.503   0.276  0.00  0.00    -0.010 C 
ATOM      6  C   LIG    1       -4.996   0.634  -1.092  0.00  0.00    +0.108 C 
ATOM      7  S   LIG    1       -3.174   0.503  -1.063  0.00  0.00    -0.131 S 
ATOM      8  C   LIG    1       -3.010   1.696   0.286  0.00  0.00    +0.169 C 
ATOM      9  N   LIG    1       -3.686   1.125   1.428  0.00  0.00    -0.249 N 
ATOM     10  C   LIG    1       -2.686   1.272   2.317  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -2.606   1.083   3.507  0.00  0.00    -0.273 OA
ATOM     12  CA  LIG    1       -1.717   1.683   1.158  0.00  0.00    +0.191 C 
ATOM     13  CA  LIG    1       -4.976   0.700   1.429  0.00  0.00    +0.126 C 
BRANCH   5  15
ATOM     14  C   LIG    1       -7.882   0.006  -0.798  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -7.078   0.105   0.270  0.00  0.00    -0.001 C 
ENDBRANCH   5  15
BRANCH  13  16
ATOM     16  C   LIG    1       -5.579   0.416   2.756  0.00  0.00    +0.352 C 
ATOM     17  O   LIG    1       -6.434   1.077   3.317  0.00  0.00    -0.244 OA
BRANCH  16  18
ATOM     18  OXT LIG    1       -5.068  -0.709   3.286  0.00  0.00    -0.476 OA
ATOM     19  HXT LIG    1       -5.456  -0.751   4.184  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  C   LIG    1        1.206  -0.119  -0.444  0.00  0.00    +0.190 A 
ATOM     21  O   LIG    1        2.147   0.098  -1.417  0.00  0.00    -0.452 OA
ATOM     22  C   LIG    1        2.910  -1.025  -1.520  0.00  0.00    +0.143 A 
ATOM     23  C   LIG    1        2.469  -1.975  -0.626  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        1.377  -1.395   0.067  0.00  0.00    +0.055 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.002  -0.990  -2.528  0.00  0.00    +0.303 C 
BRANCH  25  26
ATOM     26  O   LIG    1        5.168  -1.607  -1.976  0.00  0.00    -0.484 OA
BRANCH  26  27
ATOM     27  C   LIG    1        6.048  -0.821  -1.282  0.00  0.00    +0.121 A 
ATOM     28  C   LIG    1        7.277  -1.428  -1.006  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1        8.266  -0.744  -0.298  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        8.029   0.554   0.146  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.802   1.162  -0.116  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        5.812   0.476  -0.826  0.00  0.00    +0.045 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   3  20
TORSDOF 8