REMARK  Name = BDB052513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.684   1.833   0.246  0.00  0.00    -0.290 NA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.108   3.177   0.415  0.00  0.00    +0.085 C 
BRANCH   2   4
ATOM      3  C   LIG    1        1.865   3.929   2.106  0.00  0.00    +0.005 C 
ATOM      4  C   LIG    1        0.382   3.819   1.783  0.00  0.00    +0.012 C 
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1   5
ATOM      5  C   LIG    1        0.098   0.806   1.141  0.00  0.00    +0.120 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.353   0.435   0.921  0.00  0.00    -0.033 A 
ATOM      7  C   LIG    1       -2.384   1.131   1.561  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -3.719   0.772   1.350  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.056  -0.286   0.502  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1       -3.035  -0.996  -0.121  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -1.696  -0.639   0.088  0.00  0.00    +0.008 A 
BRANCH   9  12
ATOM     12  O   LIG    1       -5.397  -0.508   0.400  0.00  0.00    -0.475 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -5.960  -1.397  -0.572  0.00  0.00    +0.200 C 
ATOM     14  C   LIG    1       -7.476  -1.330  -0.296  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1       -5.722  -0.872  -1.997  0.00  0.00    +0.067 C 
BRANCH  13  16
ATOM     16  C   LIG    1       -5.588  -2.883  -0.402  0.00  0.00    +0.348 C 
ATOM     17  O   LIG    1       -5.127  -3.421   0.593  0.00  0.00    -0.247 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -5.860  -3.638  -1.490  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1       -5.593  -4.542  -1.216  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   1  20
ATOM     20  C   LIG    1        0.640   1.438  -1.187  0.00  0.00    +0.181 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.568   0.247  -1.470  0.00  0.00    +0.231 C 
ATOM     22  N   LIG    1        2.738   0.328  -0.733  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1        2.723   1.082  -0.052  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        1.266  -0.612  -2.292  0.00  0.00    -0.274 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.848  -0.540  -0.732  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        4.892  -0.306   0.189  0.00  0.00    -0.029 A 
ATOM     27  C   LIG    1        4.857   0.836   1.170  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1        6.007  -1.165   0.202  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        6.097  -2.251  -0.674  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1        7.308  -3.136  -0.670  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1        5.068  -2.461  -1.592  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        3.954  -1.617  -1.616  0.00  0.00    +0.024 A 
ENDBRANCH  22  25
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 11