REMARK  Name = BDB002136
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.817  -0.582   1.055  0.00  0.00    +0.193 A 
ATOM      2  N   LIG    1       -2.151  -0.563   0.719  0.00  0.00    -0.299 N 
ATOM      3  C   LIG    1       -2.674  -1.713   1.285  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -1.720  -2.322   1.965  0.00  0.00    -0.128 NA
ATOM      5  N   LIG    1       -0.557  -1.620   1.811  0.00  0.00    -0.122 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.831   0.470  -0.055  0.00  0.00    +0.091 C 
ATOM      7  C   LIG    1       -4.186   0.933   0.502  0.00  0.00    +0.025 C 
ATOM      8  C   LIG    1       -4.689   2.182  -0.230  0.00  0.00    +0.002 C 
ATOM      9  C   LIG    1       -4.333   2.201  -1.719  0.00  0.00    +0.000 C 
ATOM     10  C   LIG    1       -4.077   0.804  -2.271  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -2.914   0.115  -1.552  0.00  0.00    +0.025 C 
ENDBRANCH   2   6
BRANCH   3  12
ATOM     12  C   LIG    1       -4.040  -2.199   1.197  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -4.888  -2.125   2.297  0.00  0.00    +0.122 A 
ATOM     14  N   LIG    1       -6.178  -2.541   2.293  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -6.633  -3.091   1.148  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -5.861  -3.242   0.008  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -4.542  -2.792   0.037  0.00  0.00    +0.014 A 
ENDBRANCH   3  12
BRANCH   1  18
ATOM     18  S   LIG    1        0.351   0.577   0.524  0.00  0.00    -0.077 S 
BRANCH  18  19
ATOM     19  C   LIG    1        1.730   0.173   1.636  0.00  0.00    +0.173 C 
BRANCH  19  21
ATOM     20  O   LIG    1        3.078   2.161   1.829  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        2.912   1.063   1.304  0.00  0.00    +0.224 C 
ATOM     22  N   LIG    1        3.768   0.541   0.352  0.00  0.00    -0.312 N 
ATOM     23  H   LIG    1        3.650  -0.427   0.079  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        5.006   1.216  -0.023  0.00  0.00    +0.073 C 
ATOM     25  C   LIG    1        6.127   0.916   0.991  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1        6.989  -0.263   0.551  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1        7.674   0.004  -0.791  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1        6.887   0.950  -1.701  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1        5.387   0.837  -1.464  0.00  0.00    +0.022 C 
ENDBRANCH  22  24
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6