REMARK  Name = BDB064023
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.234  -1.183   0.746  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.318  -2.532   0.750  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        0.395  -3.191   1.001  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1       -1.579  -2.895   0.409  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1       -2.046  -4.012   0.313  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -2.240  -1.580   0.187  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1       -3.519  -1.487  -0.199  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -1.333  -0.569   0.422  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -4.268  -0.248  -0.463  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -5.234  -0.263  -1.483  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -5.982   0.902  -1.728  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.803   2.067  -0.981  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -6.613   3.134  -1.337  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -7.388   2.779  -2.336  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -4.845   2.065   0.050  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -7.210   1.176  -2.908  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -4.093   0.909   0.301  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        0.909  -0.521   1.058  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1        0.814   0.476   0.876  0.00  0.00    +0.149 HD
BRANCH  18  24
ATOM     20  C   LIG    1        5.098   1.839   0.211  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1        4.725   0.371  -0.022  0.00  0.00    +0.064 C 
ATOM     22  O   LIG    1        4.562  -0.279   1.251  0.00  0.00    -0.372 OA
ATOM     23  C   LIG    1        3.235  -0.224   1.770  0.00  0.00    +0.182 C 
ATOM     24  C   LIG    1        2.261  -1.043   0.899  0.00  0.00    +0.099 C 
ATOM     25  C   LIG    1        2.676  -1.012  -0.580  0.00  0.00    +0.027 C 
ATOM     26  C   LIG    1        3.456   0.262  -0.896  0.00  0.00    +0.036 C 
ATOM     27  C   LIG    1        5.904  -0.340  -0.701  0.00  0.00    +0.041 C 
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 3