REMARK  Name = BDB056787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.708  -0.491   1.436  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.181  -0.259   0.112  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.076   0.220  -0.177  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        1.114   0.259  -1.567  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        2.272   0.711  -2.218  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        3.370   1.111  -1.446  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.314   1.045  -0.051  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -0.069  -0.175  -2.104  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.159   0.619   0.617  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.849  -0.466  -1.078  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.364   1.462   0.739  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.607   0.934   0.467  0.00  0.00    +0.130 A 
ATOM     13  C   LIG    1        5.818  -0.425   0.224  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1        7.114  -0.884  -0.006  0.00  0.00    +0.044 A 
ATOM     15 CL   LIG    1        7.385  -2.555  -0.316  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        8.195  -0.002   0.019  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        7.981   1.351   0.283  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        6.687   1.818   0.515  0.00  0.00    +0.046 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  19
ATOM     19  C   LIG    1       -2.250  -0.982  -1.183  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.075  -0.159  -0.357  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -4.396  -0.497  -0.264  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -5.130   0.272   0.642  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1       -6.496   0.033   0.839  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -7.130  -0.984   0.119  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -6.401  -1.750  -0.790  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.037  -1.508  -0.983  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -7.221   0.875   1.819  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1       -6.732   1.751   2.508  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -8.531   0.580   1.892  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -8.875   1.209   2.562  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 7