REMARK  Name = BDB063952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.977  -1.472  -0.095  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        1.014  -2.628   0.602  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        0.275  -3.300   0.696  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        2.286  -2.853   1.014  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.730  -3.805   1.623  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        3.001  -1.650   0.506  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        4.310  -1.464   0.715  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        2.116  -0.854  -0.189  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        5.120  -0.329   0.246  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        6.455  -0.573  -0.117  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        7.255   0.506  -0.536  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.766   1.812  -0.588  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.670   2.771  -1.018  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.820   2.196  -1.288  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.433   2.048  -0.205  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        8.902   0.503  -1.048  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.628   0.979   0.212  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.159  -1.014  -0.687  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        0.124  -0.233  -1.281  0.00  0.00    +0.149 HD
BRANCH  18  24
ATOM     20  C   LIG    1       -3.681   0.461  -0.319  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1       -4.322  -0.787   0.364  0.00  0.00    +0.026 C 
ATOM     22  C   LIG    1       -3.372  -1.420   1.389  0.00  0.00    -0.007 C 
ATOM     23  C   LIG    1       -2.078  -1.856   0.682  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1       -1.382  -0.640   0.041  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -1.070   0.401   1.138  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1       -2.365   0.829   1.848  0.00  0.00    -0.007 C 
ATOM     27  C   LIG    1       -3.037  -0.395   2.479  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1       -2.357   0.001  -0.988  0.00  0.00    +0.048 C 
ATOM     29  C   LIG    1       -3.320   1.462   0.823  0.00  0.00    +0.026 C 
BRANCH  20  31
ATOM     30  C   LIG    1       -4.126   2.267  -1.984  0.00  0.00    +0.105 C 
ATOM     31  N   LIG    1       -4.646   1.105  -1.256  0.00  0.00    -0.303 NA
ATOM     32  C   LIG    1       -5.280   0.195  -2.216  0.00  0.00    +0.105 C 
ENDBRANCH  20  31
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 4