REMARK  Name = BDB017581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.571   4.050   1.468  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -3.277   2.885   1.215  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -4.127   2.029   0.352  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -5.312   2.697  -0.294  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -6.253   1.704  -0.980  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -5.456   0.655  -1.743  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -4.526   0.004  -0.829  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -3.924  -0.679  -1.304  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -3.804   0.742   0.108  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -2.623   0.121   0.781  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -1.774   0.988   1.500  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -0.586   0.546   2.093  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.207  -0.793   2.004  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -1.076  -1.681   1.359  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -2.290  -1.255   0.770  0.00  0.00    -0.011 A 
ATOM     16  N   LIG    1       -2.124   2.331   1.680  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -1.545   2.941   2.239  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1        1.089  -1.284   2.615  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.279  -1.234   1.765  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        2.769   0.120   1.438  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        2.691   0.476  -0.062  0.00  0.00    +0.122 C 
ATOM     22  N   LIG    1        3.451  -0.489  -0.889  0.00  0.00    -0.313 N 
ATOM     23  C   LIG    1        3.422  -1.881  -0.377  0.00  0.00    +0.122 C 
ATOM     24  C   LIG    1        2.230  -2.112   0.582  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1        4.755  -0.075  -1.222  0.00  0.00    +0.121 A 
ATOM     26  N   LIG    1        5.301   1.003  -0.618  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        6.555   1.371  -0.966  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        7.319   0.714  -1.910  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.760  -0.385  -2.541  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        5.468  -0.781  -2.196  0.00  0.00    +0.043 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
BRANCH  15  31
ATOM     31  C   LIG    1       -3.176  -2.333   0.197  0.00  0.00    +0.191 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -3.074  -2.337  -1.223  0.00  0.00    -0.390 OA
ATOM     33  H   LIG    1       -3.600  -3.096  -1.527  0.00  0.00    +0.210 HD
ENDBRANCH  31  32
ENDBRANCH  15  31
TORSDOF 5