REMARK  Name = BDB047082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.235   1.109  -0.854  0.00  0.00    -0.420 OA
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1        4.883  -1.032   0.096  0.00  0.00    +0.226 A 
ATOM      3  C   LIG    1        6.020  -0.282  -0.162  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1        5.758   0.989  -0.663  0.00  0.00    +0.099 A 
ATOM      5  C   LIG    1        6.879   1.761  -0.934  0.00  0.00    +0.139 A 
ATOM      6  N   LIG    1        8.174   1.381  -0.752  0.00  0.00    -0.261 NA
ATOM      7  C   LIG    1        8.375   0.142  -0.265  0.00  0.00    +0.111 A 
ATOM      8  N   LIG    1        4.509   1.443  -0.874  0.00  0.00    -0.193 NA
ATOM      9  C   LIG    1        3.496   0.617  -0.564  0.00  0.00    +0.327 A 
ATOM     10  C   LIG    1        7.344  -0.722   0.044  0.00  0.00    +0.035 A 
ATOM     11  N   LIG    1        3.623  -0.632  -0.091  0.00  0.00    -0.159 NA
BRANCH   2  12
ATOM     12  O   LIG    1        4.976  -2.301   0.580  0.00  0.00    -0.492 OA
ATOM     13  H   LIG    1        4.035  -2.553   0.626  0.00  0.00    +0.294 HD
ENDBRANCH   2  12
ENDBRANCH   1   9
BRANCH   1  14
ATOM     14  C   LIG    1        1.140   0.700  -0.182  0.00  0.00    +0.169 A 
ATOM     15  C   LIG    1       -0.135   0.964  -0.619  0.00  0.00    +0.154 A 
ATOM     16  N   LIG    1       -0.966   0.422   0.319  0.00  0.00    -0.267 N 
ATOM     17  N   LIG    1       -0.314  -0.155   1.348  0.00  0.00    -0.176 NA
ATOM     18  C   LIG    1        0.977   0.023   1.041  0.00  0.00    +0.180 A 
BRANCH  16  19
ATOM     19  C   LIG    1       -2.420   0.439   0.306  0.00  0.00    +0.159 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.987  -0.870  -0.259  0.00  0.00    +0.108 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -4.451  -0.996  -0.312  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1       -5.119  -0.951   1.001  0.00  0.00    +0.112 C 
ATOM     23  C   LIG    1       -5.945   0.327   1.223  0.00  0.00    +0.175 C 
ATOM     24  O   LIG    1       -6.942   0.549   0.217  0.00  0.00    -0.377 OA
ATOM     25  C   LIG    1       -6.612  -0.034  -1.052  0.00  0.00    +0.175 C 
ATOM     26  C   LIG    1       -5.097  -0.109  -1.292  0.00  0.00    +0.112 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  14
TORSDOF 6