REMARK  Name = BDB001711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.390   1.470   1.418  0.00  0.00    +0.105 C 
ATOM      2  C   LIG    1       -0.851   2.865   1.722  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1       -1.811   3.045   2.467  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1       -0.174   3.988   1.058  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        1.034   3.779   0.406  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        1.691   4.849  -0.214  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        1.122   6.123  -0.188  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.092   6.333   0.466  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.655   2.446   0.427  0.00  0.00    +0.210 C 
ATOM     10  O   LIG    1        2.867   2.349   0.269  0.00  0.00    -0.285 OA
ATOM     11  C   LIG    1       -0.741   5.268   1.093  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        0.777   1.280   0.768  0.00  0.00    +0.107 C 
ENDROOT
BRANCH  12  13
ATOM     13  N   LIG    1        1.218  -0.011   0.520  0.00  0.00    -0.277 N 
ATOM     14  H   LIG    1        0.771  -0.732   1.073  0.00  0.00    +0.155 HD
ATOM     15  C   LIG    1        1.955  -0.397  -0.584  0.00  0.00    +0.248 C 
ATOM     16  O   LIG    1        2.238   0.328  -1.532  0.00  0.00    -0.270 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.353  -1.831  -0.633  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        3.588  -2.146  -1.212  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        4.011  -3.474  -1.287  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.197  -4.492  -0.794  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        1.958  -4.187  -0.232  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        1.530  -2.859  -0.153  0.00  0.00    +0.013 A 
ENDBRANCH  15  17
ENDBRANCH  12  13
BRANCH   1  23
ATOM     23  N   LIG    1       -1.254   0.472   1.888  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -1.952   0.899   2.514  0.00  0.00    +0.152 HD
BRANCH  23  30
ATOM     25  C   LIG    1       -3.815  -3.683  -1.161  0.00  0.00    +0.045 C 
ATOM     26  C   LIG    1       -3.159  -2.594  -0.361  0.00  0.00    -0.032 A 
ATOM     27  C   LIG    1       -3.209  -2.566   1.039  0.00  0.00    +0.046 A 
ATOM     28 CL   LIG    1       -4.026  -3.795   1.938  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1       -2.586  -1.538   1.756  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1       -1.894  -0.515   1.096  0.00  0.00    +0.033 A 
ATOM     31  C   LIG    1       -1.852  -0.540  -0.302  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1       -2.474  -1.566  -1.021  0.00  0.00    +0.006 A 
ENDBRANCH  23  30
ENDBRANCH   1  23
TORSDOF 4