REMARK  Name = BDB000195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.859   1.426   0.822  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1        3.164   0.568  -0.606  0.00  0.00    -0.056 S 
ATOM      3  C   LIG    1        1.569  -0.061  -0.590  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        0.887   0.451   0.503  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1        1.645   1.303   1.302  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        5.063   2.555   1.257  0.00  0.00    +0.235 C 
ATOM      7  N   LIG    1        3.757   2.244   1.446  0.00  0.00    -0.263 N 
ATOM      8  H   LIG    1        3.334   2.766   2.203  0.00  0.00    +0.157 HD
ATOM      9  O   LIG    1        5.520   3.466   1.966  0.00  0.00    -0.274 OA
BRANCH   6  11
ATOM     10  C   LIG    1        6.399   0.462   0.823  0.00  0.00    +0.033 C 
ATOM     11  C   LIG    1        5.997   1.825   0.272  0.00  0.00    +0.135 C 
BRANCH  11  12
ATOM     12  N   LIG    1        7.233   2.624   0.075  0.00  0.00    -0.320 NA
ATOM     13  H   LIG    1        6.958   3.551  -0.257  0.00  0.00    +0.119 HD
ATOM     14  H   LIG    1        7.620   2.817   1.004  0.00  0.00    +0.119 HD
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   1   7
BRANCH   3  15
ATOM     15  C   LIG    1        1.101  -0.993  -1.668  0.00  0.00    +0.079 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.737  -2.370  -1.156  0.00  0.00    -0.042 A 
ATOM     17  C   LIG    1       -0.581  -2.840  -1.260  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -0.922  -4.107  -0.787  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        0.050  -4.922  -0.210  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        1.365  -4.471  -0.108  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        1.708  -3.203  -0.581  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH   3  15
BRANCH   4  22
ATOM     22  C   LIG    1       -0.530   0.172   0.903  0.00  0.00    +0.216 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -1.433   0.387  -0.187  0.00  0.00    -0.370 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -2.790   0.121   0.168  0.00  0.00    +0.127 C 
ATOM     25  C   LIG    1       -3.392   1.221   1.072  0.00  0.00    +0.067 C 
ATOM     26  C   LIG    1       -4.817   1.254   0.620  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -4.966   0.618  -0.615  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -6.197   0.560  -1.245  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.295   1.144  -0.609  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.145   1.783   0.631  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.897   1.847   1.253  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -3.655   0.098  -1.111  0.00  0.00    +0.067 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 8