REMARK  Name = BDB045133
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.950   1.176   1.253  0.00  0.00    -0.477 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -2.768   0.967  -0.596  0.00  0.00    -0.001 A 
ATOM      3  C   LIG    1       -2.583   1.751   0.552  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1       -1.332   1.808   1.171  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -0.272   1.074   0.648  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -0.433   0.320  -0.513  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -1.683   0.263  -1.135  0.00  0.00    +0.013 A 
BRANCH   2   9
ATOM      8  C   LIG    1       -4.506  -0.308  -2.022  0.00  0.00    +0.069 C 
ATOM      9  C   LIG    1       -4.115   0.931  -1.240  0.00  0.00    +0.084 C 
ATOM     10  N   LIG    1       -4.897   1.965  -1.112  0.00  0.00    -0.092 NA
BRANCH  10  11
ATOM     11  O   LIG    1       -6.106   1.789  -1.794  0.00  0.00    -0.409 OA
ATOM     12  H   LIG    1       -6.565   2.632  -1.623  0.00  0.00    +0.328 HD
ENDBRANCH  10  11
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  13
ATOM     13  C   LIG    1        1.294  -0.020   1.974  0.00  0.00    +0.285 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.939   0.149   3.449  0.00  0.00    +0.346 C 
ATOM     15  O   LIG    1        0.539   1.154   4.015  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1        1.088  -0.996   4.155  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1        0.807  -0.747   5.062  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
BRANCH  13  18
ATOM     18  C   LIG    1        2.808  -0.233   1.853  0.00  0.00    +0.091 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.197  -0.773   0.494  0.00  0.00    -0.043 A 
ATOM     20  C   LIG    1        3.512   0.101  -0.555  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.841  -0.399  -1.815  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.858  -1.774  -2.039  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.543  -2.651  -1.003  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        3.212  -2.155   0.258  0.00  0.00    +0.004 A 
ENDBRANCH  18  19
ENDBRANCH  13  18
ENDBRANCH   1  13
TORSDOF 8