REMARK  Name = BDB015074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.111   1.285   0.064  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.876   0.772   0.505  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.806   1.622   0.798  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        0.969   3.000   0.651  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.183   3.528   0.217  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        3.246   2.675  -0.074  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        8.400   0.292   1.626  0.00  0.00    +0.173 C 
ATOM      8  N   LIG    1        7.780  -0.506   0.596  0.00  0.00    -0.267 N 
ATOM      9  C   LIG    1        6.499  -0.370   0.118  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1        6.366  -1.358  -0.852  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        5.149  -1.489  -1.539  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        4.098  -0.615  -1.224  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        4.233   0.384  -0.244  0.00  0.00    -0.016 A 
ATOM     14  C   LIG    1        7.618  -2.012  -0.869  0.00  0.00    +0.142 A 
ATOM     15  C   LIG    1        5.457   0.512   0.441  0.00  0.00    +0.036 A 
ATOM     16  N   LIG    1        8.482  -1.497   0.010  0.00  0.00    -0.179 NA
ENDBRANCH   1  13
BRANCH   3  17
ATOM     17  O   LIG    1       -0.431   1.238   1.235  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.673  -0.171   1.359  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.125  -0.378   1.815  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.323   0.301   3.067  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -1.936   1.191   2.951  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -3.163   0.145   0.796  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.101  -0.493  -0.532  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -3.942   0.226  -1.511  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.428  -0.044  -1.400  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.907  -1.218  -0.790  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.286  -1.460  -0.733  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.184  -0.556  -1.298  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.712   0.599  -1.919  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.946  -2.183  -0.142  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.342   0.852  -1.974  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.484  -1.916  -0.531  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7