REMARK  Name = BDB032872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.751  -0.396  -0.066  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.481  -0.983   0.154  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -0.351  -2.383   0.205  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -1.458  -3.202  -0.007  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.700  -2.630  -0.263  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.846  -1.240  -0.288  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.732   3.256  -0.075  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -3.001   1.784  -0.270  0.00  0.00    +0.214 C 
ATOM      9  N   LIG    1       -1.878   1.016  -0.043  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -1.032   1.513   0.245  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -4.117   1.385  -0.581  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   2  12
ATOM     12  C   LIG    1        0.733  -0.121   0.339  0.00  0.00    +0.251 C 
ATOM     13  N   LIG    1        1.901  -0.649  -0.161  0.00  0.00    -0.261 N 
ATOM     14  H   LIG    1        1.887  -1.497  -0.709  0.00  0.00    +0.157 HD
ATOM     15  O   LIG    1        0.586   0.981   0.858  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1        3.153  -0.091  -0.104  0.00  0.00    +0.165 A 
ATOM     17  S   LIG    1        3.503   1.347   0.740  0.00  0.00    -0.061 S 
ATOM     18  C   LIG    1        5.146   1.211   0.275  0.00  0.00    +0.068 A 
ATOM     19  C   LIG    1        5.314   0.074  -0.484  0.00  0.00    +0.120 A 
ATOM     20  N   LIG    1        4.171  -0.672  -0.696  0.00  0.00    -0.233 NA
ENDBRANCH  13  16
ENDBRANCH   2  12
TORSDOF 3