REMARK  Name = BDB063895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.482  -0.637   0.676  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.670  -0.337   1.981  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.472  -0.522   2.552  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.461   0.230   2.471  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.682   0.624   3.598  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.352   0.244   1.281  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.587   0.759   1.326  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.689  -0.316   0.210  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.544   0.841   0.211  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.658  -0.174  -0.752  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.620  -0.041  -1.770  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.472   1.062  -1.843  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.368   1.055  -2.900  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.194  -0.036  -3.610  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.361   2.066  -0.862  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.974  -1.110  -3.076  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.405   1.943   0.155  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.427  -1.225  -0.099  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -1.124  -1.290  -1.068  0.00  0.00    +0.149 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -3.493   0.130   0.413  0.00  0.00    +0.138 C 
ATOM     21  C   LIG    1       -2.869  -1.246   0.067  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -3.321  -2.212   1.160  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -4.663  -1.643   1.591  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -4.418  -0.140   1.607  0.00  0.00    +0.033 C 
BRANCH  20  26
ATOM     25  C   LIG    1       -3.507   1.219  -1.699  0.00  0.00    +0.194 C 
ATOM     26  O   LIG    1       -4.291   0.622  -0.671  0.00  0.00    -0.378 OA
ENDBRANCH  20  26
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4