REMARK  Name = BDB062190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.220  -0.318  -1.901  0.00  0.00    +0.161 C 
ATOM      2  N   LIG    1        2.222   0.447  -3.008  0.00  0.00    -0.260 N 
ATOM      3  H   LIG    1        2.871   0.393  -3.773  0.00  0.00    +0.157 HD
ATOM      4  C   LIG    1        1.181   1.309  -2.920  0.00  0.00    +0.268 C 
ATOM      5  O   LIG    1        0.832   2.160  -3.711  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.570   0.946  -1.605  0.00  0.00    +0.129 C 
ATOM      7  C   LIG    1       -0.522   1.564  -1.138  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.288  -0.086  -1.035  0.00  0.00    -0.221 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -1.216   1.277   0.127  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -2.614   1.409   0.165  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -3.261   1.173   1.361  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -4.604   1.249   1.565  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -4.685   0.908   2.964  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -3.401   0.643   3.566  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -2.577   0.829   2.501  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1       -1.206   0.704   2.511  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -0.523   0.938   1.311  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  S   LIG    1        3.463  -1.500  -1.794  0.00  0.00    -0.090 S 
BRANCH  18  20
ATOM     19  C   LIG    1        3.986  -3.420   0.085  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1        3.009  -2.300  -0.228  0.00  0.00    +0.074 C 
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 3