REMARK  Name = BDB047489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.836   0.412  -0.007  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.516   0.233   0.695  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.465   0.687  -0.109  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.149   0.664   0.335  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.884   0.170   1.614  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.944  -0.271   2.425  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.970   1.233  -1.407  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -3.267  -0.231   1.976  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.381   0.632  -1.470  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.910  -0.669   0.221  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -4.707  -2.658  -0.996  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -5.504  -2.159   0.198  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -7.094  -0.412  -0.689  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -7.449  -1.073  -1.650  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.785   0.691  -0.336  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -8.516   0.732  -0.988  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.351   0.073   2.197  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.471   0.500   1.418  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.733   0.289   2.249  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.948   0.786   1.556  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        4.674   1.936   1.771  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        4.576   3.073   2.703  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        5.709   1.951   0.882  0.00  0.00    -0.439 OA
ATOM     24  C   LIG    1        5.563   0.794   0.154  0.00  0.00    +0.250 A 
ATOM     25  N   LIG    1        4.516   0.072   0.525  0.00  0.00    -0.212 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.533   0.368  -1.002  0.00  0.00    +0.168 A 
ATOM     27  N   LIG    1        7.588   1.101  -1.381  0.00  0.00    -0.073 NA
ATOM     28  O   LIG    1        8.178   0.392  -2.415  0.00  0.00    -0.359 OA
ATOM     29  C   LIG    1        7.474  -0.750  -2.642  0.00  0.00    +0.135 A 
ATOM     30  C   LIG    1        7.974  -1.623  -3.718  0.00  0.00    +0.089 C 
ATOM     31  C   LIG    1        6.417  -0.812  -1.769  0.00  0.00    +0.080 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9