REMARK  Name = BDB056712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.112  -0.502  -0.604  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1        1.943  -1.148  -0.178  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.723  -0.588  -0.579  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.650   0.552  -1.375  0.00  0.00    +0.090 A 
ATOM      5  N   LIG    1       -0.653   0.900  -1.615  0.00  0.00    -0.229 NA
ATOM      6  C   LIG    1       -1.392   0.007  -0.982  0.00  0.00    +0.148 A 
ATOM      7  C   LIG    1        1.831   1.169  -1.814  0.00  0.00    +0.033 A 
ATOM      8  N   LIG    1       -0.591  -0.929  -0.359  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -1.047  -2.066   0.405  0.00  0.00    +0.150 C 
ATOM     10  C   LIG    1        3.062   0.626  -1.428  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        4.302  -1.082  -0.214  0.00  0.00    -0.438 OA
BRANCH  11  15
ATOM     12  C   LIG    1        8.733   0.504  -0.812  0.00  0.00    +0.066 C 
ATOM     13  C   LIG    1        7.448   0.544  -0.041  0.00  0.00    +0.042 A 
ATOM     14  N   LIG    1        6.446  -0.261  -0.464  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        5.285  -0.218   0.224  0.00  0.00    +0.221 A 
ATOM     16  C   LIG    1        5.082   0.572   1.348  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1        6.122   1.392   1.769  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        7.323   1.382   1.065  0.00  0.00    +0.023 A 
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   6  19
ATOM     19  C   LIG    1       -2.888  -0.018  -0.961  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.293  -0.046   0.409  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.636  -0.076   0.661  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -5.652  -0.109  -0.294  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1       -6.997  -0.143   0.109  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -7.321  -0.144   1.470  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.306  -0.111   2.425  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.971  -0.077   2.018  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -8.039  -0.180  -0.945  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1       -7.835  -0.211  -2.145  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -9.288  -0.176  -0.448  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -9.859  -0.194  -1.245  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 7