REMARK  Name = BDB057025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.989  -1.002   3.114  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1       -2.670  -0.632   1.693  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.330  -0.717   1.349  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1       -0.943  -0.415   0.132  0.00  0.00    +0.167 A 
ATOM      5  C   LIG    1       -1.952   0.004  -0.832  0.00  0.00    +0.179 A 
ATOM      6  N   LIG    1       -3.271   0.080  -0.464  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -3.961   0.500  -1.579  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -2.991   0.648  -2.557  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1       -1.739   0.338  -2.088  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -3.630  -0.247   0.830  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -5.474   0.769  -1.781  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -6.493   0.647  -0.868  0.00  0.00    +0.115 A 
ATOM     13  N   LIG    1       -7.639   0.998  -1.529  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1       -8.588   1.027  -1.170  0.00  0.00    +0.188 HD
ATOM     15  N   LIG    1       -7.434   1.339  -2.810  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1       -6.114   1.200  -2.963  0.00  0.00    +0.144 A 
ENDBRANCH   7  11
BRANCH   4  17
ATOM     17  N   LIG    1        0.375  -0.473  -0.290  0.00  0.00    -0.290 N 
ATOM     18  H   LIG    1        0.463  -0.196  -1.266  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.511  -0.815   0.373  0.00  0.00    +0.091 A 
ATOM     20  S   LIG    1        1.651  -1.298   2.015  0.00  0.00    +0.027 S 
ATOM     21  N   LIG    1        3.291  -1.523   2.016  0.00  0.00    -0.213 NA
ATOM     22  C   LIG    1        3.769  -1.231   0.806  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1        2.787  -0.837  -0.164  0.00  0.00    +0.056 A 
BRANCH  22  24
ATOM     24  C   LIG    1        5.241  -1.366   0.565  0.00  0.00    +0.091 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.790   0.035   0.450  0.00  0.00    -0.039 A 
ATOM     26  C   LIG    1        5.902   0.860   1.575  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        6.414   2.139   1.419  0.00  0.00    +0.111 A 
ATOM     28  N   LIG    1        6.824   2.643   0.236  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1        6.715   1.833  -0.838  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        6.213   0.541  -0.784  0.00  0.00    +0.023 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 5