REMARK  Name = BDB063147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.849  -4.291   1.498  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.501  -3.146   1.292  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -1.318  -1.982   0.857  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.633  -2.085   0.624  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.512  -0.869   0.770  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.671  -1.288   1.103  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.737  -2.603   1.407  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        1.538  -3.121   1.716  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -3.538  -1.004   0.204  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -4.867  -1.039   0.660  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -5.757  -0.033   0.242  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.363   0.992  -0.621  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -6.349   1.910  -0.945  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -7.465   1.584  -0.335  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -4.035   1.007  -1.085  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -7.419   0.184   0.647  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -3.140   0.009  -0.673  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        1.808  -0.549   1.169  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1        2.686  -1.044   1.235  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.889   0.829   0.690  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1        1.968   0.882  -0.843  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1        2.986  -0.052  -1.501  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        4.443   0.369  -1.363  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1        4.933   0.555   0.068  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1        4.339   1.787   0.738  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1        3.005   1.568   1.445  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3