REMARK  Name = BDB063995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.345  -0.635  -2.112  0.00  0.00    +0.187 C 
ATOM      2  N   LIG    1        1.132   0.181  -3.168  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        0.416   0.111  -3.868  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        2.031   1.197  -3.129  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.153   2.130  -3.896  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.819   0.875  -1.909  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.819   1.657  -1.482  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        2.326  -0.279  -1.342  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.640   1.446  -0.278  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.019   0.166   0.155  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.830   0.046   1.298  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.280   1.162   2.005  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.072   0.888   3.109  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.214  -0.412   3.232  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.909   2.442   1.552  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        6.430  -1.380   2.058  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.100   2.571   0.416  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        0.536  -1.714  -1.945  0.00  0.00    -0.316 N 
ATOM     19  H   LIG    1       -0.057  -1.978  -2.721  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        0.822  -2.768  -0.994  0.00  0.00    +0.107 C 
BRANCH  20  25
ATOM     21  C   LIG    1       -3.020   0.410   0.597  0.00  0.00    +0.403 C 
ATOM     22  N   LIG    1       -2.095  -0.619   0.443  0.00  0.00    -0.267 N 
ATOM     23  C   LIG    1       -0.705  -0.321   0.762  0.00  0.00    +0.111 C 
ATOM     24  C   LIG    1        0.083  -1.561   1.168  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -0.101  -2.767   0.236  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -1.585  -2.983  -0.091  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -2.330  -1.714  -0.488  0.00  0.00    +0.111 C 
ATOM     28  O   LIG    1       -2.774   1.466   1.167  0.00  0.00    -0.226 OA
BRANCH  21  29
ATOM     29  O   LIG    1       -4.223   0.109   0.041  0.00  0.00    -0.445 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -6.479   0.325  -0.629  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -5.331   1.043   0.098  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1       -5.009   2.337  -0.657  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -5.762   1.312   1.544  0.00  0.00    +0.055 C 
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH  20  25
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6