REMARK  Name = BDB048301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.428   0.512  -1.246  0.00  0.00    +0.174 C 
ATOM      2  C   LIG    1       -0.588   1.451  -2.107  0.00  0.00    +0.052 C 
ENDROOT
BRANCH   1   3
ATOM      3  O   LIG    1       -2.735   0.445  -1.854  0.00  0.00    -0.488 OA
BRANCH   3   7
ATOM      4  C   LIG    1       -5.831   1.541   0.729  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1       -5.713   0.212   0.292  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -4.683  -0.179  -0.581  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1       -3.746   0.784  -0.990  0.00  0.00    +0.129 A 
ATOM      8  C   LIG    1       -3.869   2.114  -0.574  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.900   2.487   0.289  0.00  0.00    +0.007 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.619  -1.575  -1.008  0.00  0.00    -0.007 A 
ATOM     11  C   LIG    1       -4.503  -1.931  -2.338  0.00  0.00    +0.053 A 
ATOM     12  S   LIG    1       -4.459  -3.627  -2.566  0.00  0.00    -0.104 S 
ATOM     13  C   LIG    1       -4.618  -3.911  -0.889  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -4.699  -2.737  -0.172  0.00  0.00    +0.016 A 
ENDBRANCH   6  10
BRANCH   4  16
ATOM     15  C   LIG    1       -6.532   1.755   3.127  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -6.938   1.938   1.673  0.00  0.00    +0.032 C 
ENDBRANCH   4  16
ENDBRANCH   3   7
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1       -0.879  -0.923  -1.194  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.451  -1.062  -0.459  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.501  -0.548  -1.274  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.765  -0.566  -0.755  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        3.140  -1.087   0.484  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.481  -1.044   0.916  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        4.830  -1.634   2.256  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        5.462  -0.480   0.074  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        5.072   0.043  -1.169  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        3.738  -0.003  -1.577  0.00  0.00    +0.046 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.920  -0.388   0.468  0.00  0.00    +0.046 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.236   0.944   1.143  0.00  0.00    +0.125 C 
BRANCH  28  29
ATOM     29  C   LIG    1        8.682   1.013   1.545  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        9.534   0.154   1.402  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        8.987   2.190   2.126  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        9.941   2.113   2.338  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12