REMARK  Name = BDB028788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.132   0.740  -1.669  0.00  0.00    -0.109 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.296   0.355  -0.310  0.00  0.00    +0.138 C 
ATOM      3  C   LIG    1        2.144  -0.870  -0.655  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1        1.737  -1.854  -1.270  0.00  0.00    -0.274 OA
ATOM      5  N   LIG    1        3.430  -0.872  -0.160  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1        3.974  -1.700  -0.360  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1        4.026   0.057   0.655  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1        5.145  -0.134   1.123  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        3.204   1.273   0.999  0.00  0.00    +0.098 C 
ATOM     10  C   LIG    1        2.192   1.575  -0.096  0.00  0.00    +0.033 C 
ENDBRANCH   1   2
BRANCH   1  12
ATOM     11  C   LIG    1       -2.057   0.042  -0.037  0.00  0.00    +0.133 A 
ATOM     12  C   LIG    1       -1.260  -0.270  -1.158  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1       -1.569  -1.390  -1.941  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1       -2.647  -2.209  -1.610  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.427  -1.911  -0.496  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -3.134  -0.793   0.288  0.00  0.00    +0.047 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -2.650   1.648   1.623  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -1.700   1.152   0.689  0.00  0.00    -0.494 OA
ENDBRANCH  11  18
ENDBRANCH   1  12
TORSDOF 3