REMARK  Name = BDB015179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.562   0.000   2.759  0.00  0.00    -0.489 OA
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        3.018   0.970   2.352  0.00  0.00    -0.014 A 
ATOM      3  C   LIG    1        1.697   0.631   1.999  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.741   0.349   2.978  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.110   0.395   4.324  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1        2.410   0.732   4.693  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        3.358   1.020   3.712  0.00  0.00    +0.009 A 
BRANCH   2  14
ATOM      8  C   LIG    1        5.717  -1.512  -1.900  0.00  0.00    +0.150 C 
ATOM      9  N   LIG    1        5.962  -0.130  -1.575  0.00  0.00    -0.333 N 
ATOM     10  C   LIG    1        5.364   0.582  -0.564  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1        5.940   1.846  -0.659  0.00  0.00    +0.089 A 
ATOM     12  C   LIG    1        5.557   2.844   0.247  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.601   2.536   1.226  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        4.020   1.259   1.316  0.00  0.00    -0.016 A 
ATOM     15  N   LIG    1        6.844   1.900  -1.691  0.00  0.00    -0.236 NA
ATOM     16  C   LIG    1        4.405   0.256   0.404  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        6.835   0.698  -2.220  0.00  0.00    +0.200 A 
ENDBRANCH   2  14
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  C   LIG    1       -1.101   0.145   1.436  0.00  0.00    +0.261 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.928  -1.169   0.662  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.633  -2.233   1.319  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1       -1.427  -2.139   2.269  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -1.364  -1.058  -0.816  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.678  -0.427  -1.070  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -3.782  -1.255  -0.536  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.162  -0.785  -0.957  0.00  0.00    -0.029 A 
ATOM     26  C   LIG    1       -5.336   0.070  -2.059  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.625   0.472  -2.437  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -7.740   0.005  -1.741  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -7.569  -0.859  -0.663  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       -8.945  -1.441   0.191  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1       -4.131   0.602  -2.789  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.292  -1.257  -0.270  0.00  0.00    +0.025 A 
ATOM     33  C   LIG    1       -2.872  -0.229  -2.517  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7