REMARK  Name = BDB050086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.523  -1.249   0.317  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1       -0.359  -0.760  -0.017  0.00  0.00    -0.150 NA
ATOM      3  N   LIG    1        0.077  -1.125  -1.261  0.00  0.00    -0.211 N 
ATOM      4  C   LIG    1       -0.584  -1.942  -2.164  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        0.081  -2.069  -3.291  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        1.210  -1.313  -3.118  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -1.813  -2.494  -1.754  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        1.253  -0.715  -1.868  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -2.302  -2.184  -0.548  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.256   0.176  -1.282  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        2.631   0.074   0.066  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        3.603   0.922   0.611  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        4.199   1.893  -0.196  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        3.844   2.002  -1.539  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        2.882   1.146  -2.079  0.00  0.00    +0.010 A 
BRANCH  12  16
ATOM     16  S   LIG    1        4.030   0.763   2.337  0.00  0.00    -0.129 S 
ATOM     17  C   LIG    1        5.783   0.335   2.174  0.00  0.00    +0.090 C 
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  18
ATOM     18  N   LIG    1       -1.966  -0.875   1.566  0.00  0.00    -0.323 N 
ATOM     19  H   LIG    1       -1.163  -0.437   2.025  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  CA  LIG    1       -3.134   0.006   1.793  0.00  0.00    +0.097 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -3.356   1.443  -0.363  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -2.991   1.377   1.114  0.00  0.00    +0.021 C 
ENDBRANCH  20  22
BRANCH  20  23
ATOM     23  C   LIG    1       -4.462  -0.715   1.524  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -4.504  -1.950   2.242  0.00  0.00    -0.393 OA
ATOM     25  H   LIG    1       -3.579  -2.266   2.288  0.00  0.00    +0.209 HD
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7