REMARK  Name = BDB023419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.845  -1.272  -0.334  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        0.908  -0.768   0.584  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.403  -0.465   0.188  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -0.775  -0.692  -1.143  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        0.151  -1.183  -2.066  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.455  -1.466  -1.665  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.348   0.028   1.201  0.00  0.00    +0.013 C 
ATOM      8  C   LIG    1       -2.366   0.862   0.941  0.00  0.00    +0.068 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.252   1.314   2.045  0.00  0.00    +0.241 C 
ATOM     10  N   LIG    1       -4.457   1.875   1.730  0.00  0.00    -0.280 N 
ATOM     11  H   LIG    1       -4.808   2.460   2.478  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -2.882   1.267   3.216  0.00  0.00    -0.270 OA
BRANCH  10  13
ATOM     13  C   LIG    1       -5.165   1.905   0.511  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1       -5.288   0.800  -0.359  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -6.012   0.966  -1.550  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1       -6.591   2.193  -1.883  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -6.496   3.264  -1.002  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -5.802   3.115   0.198  0.00  0.00    +0.025 A 
BRANCH  14  19
ATOM     19  N   LIG    1       -4.984  -0.512   0.034  0.00  0.00    -0.357 N 
ATOM     20  H   LIG    1       -4.791  -1.163  -0.718  0.00  0.00    +0.142 HD
ATOM     21  H   LIG    1       -4.368  -0.616   0.831  0.00  0.00    +0.142 HD
ENDBRANCH  14  19
ENDBRANCH  10  13
ENDBRANCH   8   9
ENDBRANCH   3   7
BRANCH   1  22
ATOM     22  C   LIG    1        3.264  -1.564   0.095  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.122  -0.483  -0.340  0.00  0.00    -0.319 N 
ATOM     24  H   LIG    1        3.700   0.438  -0.317  0.00  0.00    +0.148 HD
BRANCH  23  28
ATOM     25  C   LIG    1        8.296  -2.512   0.931  0.00  0.00    +0.066 C 
ATOM     26  C   LIG    1        7.415  -1.389   0.526  0.00  0.00    +0.047 A 
ATOM     27  N   LIG    1        6.073  -1.651   0.303  0.00  0.00    -0.230 NA
ATOM     28  C   LIG    1        5.439  -0.558  -0.052  0.00  0.00    +0.159 A 
ATOM     29  S   LIG    1        6.421   0.855  -0.126  0.00  0.00    -0.061 S 
ATOM     30  C   LIG    1        7.782  -0.072   0.340  0.00  0.00    +0.071 A 
ENDBRANCH  23  28
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7