REMARK  Name = BDB050138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.469   0.592  -0.209  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1       -0.171   0.443  -0.161  0.00  0.00    -0.150 NA
ATOM      3  N   LIG    1        0.504   1.448   0.479  0.00  0.00    -0.209 N 
ATOM      4  C   LIG    1       -0.058   2.573   1.061  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        0.848   3.358   1.597  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        2.039   2.730   1.347  0.00  0.00    +0.143 A 
ATOM      7  C   LIG    1       -1.458   2.711   0.991  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        1.872   1.531   0.669  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -2.180   1.767   0.379  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.890   0.582   0.227  0.00  0.00    +0.095 A 
ATOM     11  N   LIG    1        4.143   1.078   0.292  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1        5.146   0.274  -0.090  0.00  0.00    +0.189 A 
ATOM     13  N   LIG    1        4.991  -0.987  -0.523  0.00  0.00    -0.230 NA
ATOM     14  C   LIG    1        3.730  -1.447  -0.565  0.00  0.00    +0.116 A 
ATOM     15  C   LIG    1        2.635  -0.704  -0.197  0.00  0.00    +0.050 A 
BRANCH  12  16
ATOM     16  S   LIG    1        6.782   0.962   0.009  0.00  0.00    -0.089 S 
ATOM     17  C   LIG    1        7.747  -0.391  -0.702  0.00  0.00    +0.093 C 
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  18
ATOM     18  N   LIG    1       -2.141  -0.421  -0.850  0.00  0.00    -0.323 N 
ATOM     19  H   LIG    1       -1.502  -1.187  -1.069  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  CA  LIG    1       -3.479  -0.897  -0.499  0.00  0.00    +0.097 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -5.946  -0.605  -1.082  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -4.507  -0.286  -1.461  0.00  0.00    +0.021 C 
ENDBRANCH  20  22
BRANCH  20  23
ATOM     23  C   LIG    1       -3.485  -2.442  -0.557  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -2.371  -2.985   0.154  0.00  0.00    -0.393 OA
ATOM     25  H   LIG    1       -2.344  -2.569   1.034  0.00  0.00    +0.209 HD
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7