REMARK  Name = BDB046934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.061  -1.166   0.134  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -2.080  -0.238  -0.158  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1       -2.645  -0.192  -1.440  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1       -2.191  -1.081  -2.395  0.00  0.00    +0.111 A 
ATOM      5  N   LIG    1       -1.240  -2.001  -2.160  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.717  -2.030  -0.910  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -0.459  -1.276   1.405  0.00  0.00    -0.337 N 
ATOM      8  H   LIG    1       -0.837  -0.560   2.040  0.00  0.00    +0.146 HD
BRANCH   7   9
ATOM      9  C   LIG    1        1.008  -1.219   1.443  0.00  0.00    +0.144 C 
BRANCH   9  12
ATOM     10  C   LIG    1        2.332  -0.131  -1.293  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        2.173   0.625  -0.014  0.00  0.00    -0.039 A 
ATOM     12  C   LIG    1        1.599   0.140   1.155  0.00  0.00    +0.010 A 
ATOM     13  S   LIG    1        1.592   1.320   2.404  0.00  0.00    -0.100 S 
ATOM     14  C   LIG    1        2.342   2.480   1.406  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        2.596   1.987   0.148  0.00  0.00    +0.011 A 
ENDBRANCH   9  12
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  C   LIG    1       -2.553   0.711   0.885  0.00  0.00    +0.339 C 
ATOM     17  O   LIG    1       -2.160   0.768   2.037  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -3.503   1.556   0.442  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -3.705   2.109   1.226  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 5