REMARK  Name = BDB032981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.477   0.667  -0.583  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        2.249  -0.192   0.160  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        1.800  -0.845   0.788  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        1.846   1.582  -1.306  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        0.133  -1.947  -1.276  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -0.609  -0.771  -0.705  0.00  0.00    -0.038 A 
ATOM      7  C   LIG    1        0.018   0.452  -0.409  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -0.727   1.537   0.067  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.096   1.400   0.296  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -2.741   0.181   0.049  0.00  0.00    -0.045 A 
ATOM     11  C   LIG    1       -1.986  -0.894  -0.451  0.00  0.00    +0.008 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -4.231   0.005   0.295  0.00  0.00    +0.013 C 
ATOM     13  C   LIG    1       -5.060   0.921  -0.609  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -4.589   0.222   1.767  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  C   LIG    1        3.618  -0.244   0.204  0.00  0.00    +0.167 A 
ATOM     16  S   LIG    1        4.621   0.750  -0.753  0.00  0.00    -0.028 S 
ATOM     17  C   LIG    1        5.981   0.007  -0.062  0.00  0.00    +0.185 A 
ATOM     18  C   LIG    1        5.603  -0.952   0.846  0.00  0.00    +0.153 A 
ATOM     19  N   LIG    1        4.233  -1.097   0.994  0.00  0.00    -0.231 NA
BRANCH  17  20
ATOM     20  N   LIG    1        7.312   0.373  -0.421  0.00  0.00    +0.065 N 
ATOM     21  O   LIG    1        8.220  -0.241   0.155  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        7.472   1.260  -1.268  0.00  0.00    -0.126 OA
ENDBRANCH  17  20
ENDBRANCH   2  15
TORSDOF 4