REMARK  Name = BDB059174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.182  -0.234   1.819  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -1.093   0.729   1.648  0.00  0.00    -0.219 NA
ATOM      3  C   LIG    1       -0.892   1.627   0.655  0.00  0.00    +0.110 A 
ATOM      4  C   LIG    1        0.219   1.585  -0.164  0.00  0.00    +0.111 A 
ATOM      5  C   LIG    1        1.106   0.555   0.100  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        0.935  -0.341   1.096  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.978   2.623   0.596  0.00  0.00    +0.066 A 
ATOM      8  N   LIG    1       -2.358   3.338  -0.525  0.00  0.00    -0.359 N 
ATOM      9  H   LIG    1       -1.943   3.275  -1.447  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1       -3.406   4.171  -0.227  0.00  0.00    +0.083 A 
ATOM     11  C   LIG    1       -3.738   3.984   1.091  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1       -2.854   3.009   1.604  0.00  0.00    +0.029 A 
ENDBRANCH   3   7
BRANCH   4  13
ATOM     13  C   LIG    1        0.453   2.534  -1.197  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        0.588   3.324  -2.036  0.00  0.00    -0.191 NA
ENDBRANCH   4  13
BRANCH   1  15
ATOM     15  S   LIG    1       -0.497  -1.408   3.107  0.00  0.00    -0.073 S 
BRANCH  15  16
ATOM     16  C   LIG    1        0.562  -2.782   2.572  0.00  0.00    +0.165 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -0.194  -3.857   0.247  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        0.141  -3.384   1.299  0.00  0.00    -0.094 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  S   LIG    1        2.583   0.266  -0.869  0.00  0.00    -0.027 S 
BRANCH  19  20
ATOM     20  C   LIG    1        1.890  -0.938  -1.893  0.00  0.00    +0.215 A 
ATOM     21  N   LIG    1        2.373  -2.204  -2.030  0.00  0.00    -0.223 N 
ATOM     22  C   LIG    1        3.496  -2.835  -1.396  0.00  0.00    +0.177 C 
ATOM     23  N   LIG    1        1.589  -2.888  -2.883  0.00  0.00    -0.043 NA
ATOM     24  N   LIG    1        0.643  -2.032  -3.248  0.00  0.00    -0.022 NA
ATOM     25  N   LIG    1        0.814  -0.812  -2.636  0.00  0.00    -0.101 NA
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 7