REMARK  Name = BDB023994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.516   4.456  -1.302  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.224   3.278  -1.924  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.560   2.057  -1.908  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.120   1.951  -1.595  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.756   0.544  -1.276  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.552  -0.019  -0.777  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -0.685  -1.344  -0.601  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.950  -1.627  -0.971  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1       -2.618  -0.523  -1.408  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.016  -0.420  -1.892  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.185   0.926  -2.626  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -5.348   3.421  -2.407  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.702   0.653  -0.454  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        1.327   0.405   0.774  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        2.536   1.036   1.088  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        3.116   1.934   0.184  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        2.499   2.178  -1.043  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        1.300   1.535  -1.364  0.00  0.00    +0.010 A 
BRANCH  15  19
ATOM     19  C   LIG    1        3.164   0.751   2.405  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        4.537   0.597   2.371  0.00  0.00    -0.279 N 
ATOM     21  H   LIG    1        4.981   0.590   1.461  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        2.447   0.653   3.391  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.372   0.349   3.481  0.00  0.00    +0.070 A 
ATOM     24  C   LIG    1        4.976   0.291   4.804  0.00  0.00    +0.137 A 
ATOM     25  N   LIG    1        5.822   0.060   5.836  0.00  0.00    -0.242 NA
ATOM     26  C   LIG    1        7.110  -0.120   5.511  0.00  0.00    +0.221 A 
ATOM     27  N   LIG    1        7.620  -0.087   4.272  0.00  0.00    -0.242 NA
ATOM     28  C   LIG    1        6.729   0.148   3.285  0.00  0.00    +0.137 A 
ENDBRANCH  20  23
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -2.441  -2.979  -0.886  0.00  0.00    +0.135 C 
ATOM     30  C   LIG    1       -2.188  -3.679   0.438  0.00  0.00    +0.186 C 
ATOM     31  O   LIG    1       -2.280  -5.091   0.167  0.00  0.00    -0.378 OA
ATOM     32  C   LIG    1       -2.151  -5.285  -1.250  0.00  0.00    +0.162 C 
ATOM     33  C   LIG    1       -1.804  -3.945  -1.864  0.00  0.00    +0.057 C 
ENDBRANCH   8  29
TORSDOF 4