REMARK  Name = BDB027051
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.519   0.479  -0.742  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.118  -0.920  -1.185  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.430  -1.141  -2.460  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.805  -2.424  -2.863  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.632  -3.503  -2.000  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.077  -3.303  -0.738  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        0.301  -2.021  -0.334  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -0.564   2.558  -1.385  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -0.674   1.479  -0.790  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.931   1.149  -0.109  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1       -2.178   0.477   1.135  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.569   0.395   1.296  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1       -4.160  -0.228   2.408  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -3.325  -0.762   3.391  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -1.945  -0.670   3.275  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -4.140   1.019   0.208  0.00  0.00    -0.344 N 
ATOM     17  C   LIG    1       -1.364  -0.051   2.162  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -3.168   1.502  -0.621  0.00  0.00    +0.098 A 
BRANCH  16  19
ATOM     19  C   LIG    1       -5.563   1.170  -0.032  0.00  0.00    +0.149 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -6.170  -0.056  -0.703  0.00  0.00    +0.177 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -7.557   0.152  -0.957  0.00  0.00    -0.393 OA
ATOM     22  H   LIG    1       -7.631   0.777  -1.699  0.00  0.00    +0.209 HD
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  23
ATOM     23  N   LIG    1        1.614   0.991  -1.608  0.00  0.00    -0.303 NA
ATOM     24  H   LIG    1        1.532   2.010  -1.661  0.00  0.00    +0.123 HD
BRANCH  23  25
ATOM     25  C   LIG    1        2.952   0.595  -1.169  0.00  0.00    +0.086 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.487   1.440  -0.003  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.887   1.029   0.387  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1        5.092  -0.004   1.313  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        6.387  -0.395   1.661  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        7.482   0.242   1.081  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1        9.077  -0.240   1.510  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        7.293   1.266   0.155  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1        5.998   1.657  -0.193  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 10