REMARK  Name = BDB022242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.715  -0.054  -0.120  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -2.292  -0.462  -0.290  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.835  -0.915  -1.542  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.481  -1.254  -1.692  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.408  -1.178  -0.615  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.031  -0.785   0.646  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -2.755  -1.052  -2.623  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -2.300  -1.536  -3.917  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -4.105  -0.793  -2.463  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -4.956  -0.950  -3.338  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -1.381  -0.430   0.789  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -4.540  -0.265  -1.155  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -4.097   0.521   1.090  0.00  0.00    -0.343 N 
ATOM     14  H   LIG    1       -3.354   1.077   1.508  0.00  0.00    +0.146 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -5.604   2.445   0.871  0.00  0.00    +0.024 C 
ATOM     16  C   LIG    1       -5.416   1.043   1.425  0.00  0.00    +0.098 C 
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  N   LIG    1        0.820  -0.677   1.764  0.00  0.00    -0.313 N 
ATOM     18  H   LIG    1        0.324  -0.823   2.642  0.00  0.00    +0.152 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.218  -0.496   1.868  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        2.941  -1.008   2.964  0.00  0.00    +0.110 A 
ATOM     21  C   LIG    1        4.320  -0.833   2.983  0.00  0.00    +0.149 A 
ATOM     22 CL   LIG    1        5.325  -1.403   4.262  0.00  0.00    -0.061 Cl
ATOM     23  N   LIG    1        5.030  -0.207   2.021  0.00  0.00    -0.229 NA
ATOM     24  C   LIG    1        4.317   0.276   0.974  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1        2.938   0.157   0.860  0.00  0.00    +0.057 A 
BRANCH  24  26
ATOM     26  C   LIG    1        5.098   0.973  -0.098  0.00  0.00    +0.262 C 
ATOM     27  N   LIG    1        6.458   1.008   0.119  0.00  0.00    -0.313 N 
ATOM     28  H   LIG    1        6.789   0.646   1.010  0.00  0.00    +0.149 HD
ATOM     29  C   LIG    1        7.356   1.729  -0.742  0.00  0.00    +0.128 C 
ATOM     30  O   LIG    1        4.539   1.463  -1.071  0.00  0.00    -0.269 OA
ENDBRANCH  24  26
BRANCH  20  31
ATOM     31  C   LIG    1        2.279  -1.689   4.031  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1        1.693  -2.216   4.883  0.00  0.00    -0.191 NA
ENDBRANCH  20  31
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 6