REMARK  Name = BDB032860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.515  -0.070  -0.277  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        1.671  -0.624   0.228  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        1.668  -1.574   0.574  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        0.335   1.112  -0.553  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -1.965  -0.573  -0.237  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.635  -1.020  -0.426  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -0.384  -2.364  -0.761  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -1.435  -3.273  -0.862  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.740  -2.846  -0.639  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.003  -1.507  -0.334  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -3.254   2.915   0.459  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -3.407   1.422   0.305  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -2.208   0.799   0.026  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -1.385   1.400  -0.050  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -4.497   0.884   0.461  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        2.870   0.011   0.437  0.00  0.00    +0.168 A 
ATOM     17  S   LIG    1        3.170   1.618  -0.033  0.00  0.00    -0.028 S 
ATOM     18  C   LIG    1        4.763   1.483   0.559  0.00  0.00    +0.184 A 
ATOM     19  C   LIG    1        4.967   0.226   1.094  0.00  0.00    +0.167 A 
ATOM     20 CL   LIG    1        6.392  -0.363   1.848  0.00  0.00    -0.059 Cl
ATOM     21  N   LIG    1        3.867  -0.621   1.006  0.00  0.00    -0.211 NA
BRANCH  18  22
ATOM     22  N   LIG    1        5.703   2.614   0.492  0.00  0.00    -0.020 NA
ATOM     23  O   LIG    1        6.888   2.299   0.348  0.00  0.00    -0.143 OA
ENDBRANCH  18  22
ENDBRANCH   2  16
TORSDOF 4