REMARK  Name = BDB045127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.642   0.067   0.588  0.00  0.00    -0.040 A 
ATOM      2  C   LIG    1        0.789  -0.816  -0.073  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -0.583  -0.550  -0.154  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1       -1.319  -1.512  -0.796  0.00  0.00    -0.481 OA
ATOM      5  C   LIG    1       -2.704  -1.621  -0.395  0.00  0.00    +0.131 C 
ATOM      6  C   LIG    1       -3.390  -0.267  -0.234  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -2.601   0.843   0.139  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1       -3.235   2.095   0.239  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -4.613   2.255   0.028  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1       -5.251   3.603   0.187  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -5.384   1.135  -0.271  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.779  -0.112  -0.407  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -3.332  -2.470  -1.517  0.00  0.00    +0.060 C 
ATOM     14  C   LIG    1       -2.779  -2.418   0.920  0.00  0.00    +0.060 C 
ATOM     15  C   LIG    1       -1.153   0.626   0.363  0.00  0.00    +0.066 A 
ATOM     16  C   LIG    1       -0.278   1.488   1.052  0.00  0.00    +0.128 A 
ATOM     17  C   LIG    1        1.097   1.220   1.157  0.00  0.00    +0.050 A 
ENDROOT
BRANCH  16  18
ATOM     18  O   LIG    1       -0.749   2.615   1.675  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1       -0.024   3.042   2.159  0.00  0.00    +0.292 HD
ENDBRANCH  16  18
BRANCH   1  20
ATOM     20  C   LIG    1        3.122  -0.212   0.669  0.00  0.00    +0.035 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.865   0.338  -0.552  0.00  0.00    +0.005 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.385   0.183  -0.458  0.00  0.00    +0.000 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.367  -1.373  -0.496  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        5.849  -1.274  -0.476  0.00  0.00    -0.003 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5