REMARK  Name = BDB017634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.836   3.660  -0.250  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -3.558   2.481  -0.049  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -4.591   1.412  -0.092  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -6.000   1.844  -0.402  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.032   0.752  -0.099  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -6.539  -0.606  -0.584  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -5.233  -0.886   0.003  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.847  -1.777  -0.296  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.273   0.118   0.114  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -2.874  -0.243   0.450  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.903   0.769   0.466  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -0.563   0.492   0.757  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.163  -0.816   1.055  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -1.130  -1.829   1.069  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.469  -1.546   0.774  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -2.275   2.091   0.205  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -1.588   2.832   0.229  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1        1.284  -1.127   1.377  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.890  -2.116   0.464  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        1.968  -1.608  -0.924  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        2.876  -0.368  -1.132  0.00  0.00    +0.122 C 
ATOM     22  N   LIG    1        4.035  -0.373  -0.213  0.00  0.00    -0.312 N 
ATOM     23  C   LIG    1        4.445  -1.709   0.238  0.00  0.00    +0.122 C 
ATOM     24  C   LIG    1        3.261  -2.454   0.921  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.012   0.578  -0.512  0.00  0.00    +0.140 A 
ATOM     26  N   LIG    1        4.782   1.457  -1.518  0.00  0.00    -0.237 NA
ATOM     27  C   LIG    1        5.736   2.386  -1.772  0.00  0.00    +0.132 A 
ATOM     28  C   LIG    1        6.907   2.469  -1.047  0.00  0.00    +0.130 A 
ATOM     29  N   LIG    1        7.171   1.631  -0.028  0.00  0.00    -0.258 NA
ATOM     30  C   LIG    1        6.201   0.708   0.220  0.00  0.00    +0.154 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 3