REMARK  Name = BDB007827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.715  -0.482   0.944  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        1.029  -0.567  -0.210  0.00  0.00    -0.196 NA
ATOM      3  C   LIG    1        0.101   0.381  -0.470  0.00  0.00    +0.240 A 
ATOM      4  O   LIG    1       -0.465   0.228  -1.702  0.00  0.00    -0.459 OA
ATOM      5  C   LIG    1       -1.732   0.852  -1.870  0.00  0.00    +0.189 C 
ATOM      6  C   LIG    1       -1.841   2.264  -1.250  0.00  0.00    +0.268 C 
ATOM      7  N   LIG    1       -1.205   2.394  -0.009  0.00  0.00    -0.232 N 
ATOM      8  O   LIG    1       -2.554   3.132  -1.759  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.938   0.985  -3.389  0.00  0.00    +0.066 C 
ATOM     10  C   LIG    1       -0.220   1.436   0.384  0.00  0.00    +0.103 A 
ATOM     11  C   LIG    1        0.546   1.520   1.550  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        1.508   0.548   1.842  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1       -1.509   3.505   0.834  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1       -1.475   4.811   0.330  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1       -1.803   5.891   1.151  0.00  0.00    +0.043 A 
ATOM     16 CL   LIG    1       -1.729   7.493   0.528  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1       -2.186   5.685   2.474  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -2.252   4.388   2.980  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -1.923   3.304   2.162  0.00  0.00    +0.024 A 
ENDBRANCH   7  13
BRANCH   1  21
ATOM     20  C   LIG    1        3.534  -1.693   2.158  0.00  0.00    +0.235 C 
ATOM     21  N   LIG    1        2.636  -1.506   1.130  0.00  0.00    -0.269 N 
ATOM     22  H   LIG    1        2.707  -2.158   0.353  0.00  0.00    +0.156 HD
ATOM     23  O   LIG    1        3.660  -0.972   3.142  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1        4.343  -3.002   1.980  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1        5.564  -3.052   2.896  0.00  0.00    +0.034 C 
BRANCH  24  27
ATOM     26  C   LIG    1        5.628  -2.338  -0.019  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1        4.648  -3.261   0.549  0.00  0.00    -0.309 NA
ATOM     28  H   LIG    1        5.025  -4.207   0.469  0.00  0.00    +0.122 HD
ENDBRANCH  24  27
ENDBRANCH  20  24
ENDBRANCH   1  21
BRANCH   5  29
ATOM     29  C   LIG    1       -2.860  -0.008  -1.224  0.00  0.00    +0.092 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.134  -1.346  -1.875  0.00  0.00    -0.043 A 
ATOM     31  C   LIG    1       -2.229  -2.408  -1.745  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -2.492  -3.640  -2.347  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.663  -3.825  -3.080  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.570  -2.777  -3.214  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -4.308  -1.543  -2.616  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 6