REMARK  Name = BDB027050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.637  -1.248  -0.465  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.284  -2.720  -0.660  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        0.613  -3.164  -1.644  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.898  -4.525  -1.786  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        0.281  -5.462  -0.960  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.632  -5.041   0.004  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.917  -3.683   0.148  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1        0.394   0.157  -2.134  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1        0.460  -0.283  -0.978  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1        1.563   0.133  -0.097  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1        2.018  -0.346   1.183  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        3.110   0.450   1.567  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        3.794   0.258   2.781  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        3.373  -0.767   3.628  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        2.308  -1.581   3.274  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1        3.326   1.359   0.554  0.00  0.00    -0.344 N 
ATOM     17  C   LIG    1        1.631  -1.383   2.065  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        2.413   1.171  -0.443  0.00  0.00    +0.098 A 
BRANCH  16  19
ATOM     19  C   LIG    1        4.357   2.389   0.538  0.00  0.00    +0.149 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.683   1.872  -0.011  0.00  0.00    +0.177 C 
BRANCH  20  21
ATOM     21  O   LIG    1        5.653   1.847  -1.436  0.00  0.00    -0.393 OA
ATOM     22  H   LIG    1        6.455   1.385  -1.735  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       -1.928  -0.980  -1.161  0.00  0.00    -0.303 NA
ATOM     24  H   LIG    1       -1.709  -0.914  -2.159  0.00  0.00    +0.123 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.539   0.278  -0.719  0.00  0.00    +0.086 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.834   0.540  -1.499  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.495   1.827  -1.064  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1       -5.469   1.820  -0.056  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -6.064   3.013   0.359  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -5.685   4.217  -0.229  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       -6.418   5.687   0.285  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1       -4.715   4.240  -1.228  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -4.119   3.047  -1.644  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 10