REMARK  Name = BDB026892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.065  -0.706   0.255  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.694  -1.944  -0.199  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.169  -2.058  -1.516  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.863  -3.197  -1.926  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -2.081  -4.241  -1.030  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.601  -4.152   0.274  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.907  -3.013   0.688  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -0.194   1.482  -0.765  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -0.706   0.617  -0.046  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.012   0.856   0.589  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.918   1.939   0.313  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -4.033   1.781   1.137  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.121   2.663   1.125  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -5.070   3.745   0.243  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.974   3.935  -0.593  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -3.822   0.653   1.890  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -4.473   0.293   2.574  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -2.896   3.042  -0.569  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -2.608   0.097   1.581  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        1.396  -0.659  -0.409  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1        1.670   0.327  -0.480  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.413  -1.422   0.314  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.753  -1.433  -0.438  0.00  0.00    +0.052 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.444  -0.095  -0.462  0.00  0.00    -0.028 A 
ATOM     25  C   LIG    1        4.325   0.755  -1.560  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        4.913   1.968  -1.646  0.00  0.00    -0.243 NA
ATOM     27  C   LIG    1        5.649   2.353  -0.585  0.00  0.00    +0.129 A 
ATOM     28 CL   LIG    1        6.377   3.898  -0.738  0.00  0.00    -0.062 Cl
ATOM     29  C   LIG    1        5.830   1.594   0.558  0.00  0.00    +0.040 A 
ATOM     30  C   LIG    1        5.214   0.347   0.618  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7