REMARK  Name = BDB013319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.279   2.768   0.865  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1        0.141   2.319  -0.547  0.00  0.00    +0.055 C 
ATOM      3  C   LIG    1        1.353   1.388  -0.415  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1        2.494   1.828  -0.563  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1        1.117   0.069  -0.023  0.00  0.00    -0.290 N 
ATOM      6  C   LIG    1       -0.263  -0.442   0.150  0.00  0.00    +0.114 C 
ATOM      7  C   LIG    1       -1.262   0.144  -0.891  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1       -0.992   1.604  -1.297  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -0.357  -1.974   0.096  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1        0.123  -2.698  -1.011  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        0.013  -4.089  -1.054  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.583  -4.769   0.005  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -0.719  -6.483  -0.047  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -1.069  -4.070   1.108  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.957  -2.678   1.154  0.00  0.00    +0.007 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -2.720  -0.067  -0.479  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -3.524  -0.958  -1.210  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -4.850  -1.184  -0.838  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -5.815  -2.285  -1.743  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -5.397  -0.529   0.261  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -4.611   0.358   0.995  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.282   0.586   0.629  0.00  0.00    +0.004 A 
ENDBRANCH   7  16
BRANCH   5  23
ATOM     23  C   LIG    1        2.247  -0.682   0.570  0.00  0.00    +0.079 C 
ATOM     24  C   LIG    1        2.943   0.025   1.753  0.00  0.00    +0.053 C 
ATOM     25  C   LIG    1        4.415   0.118   1.360  0.00  0.00    +0.116 C 
ATOM     26  C   LIG    1        4.626  -1.047   0.405  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        3.357  -1.044  -0.432  0.00  0.00    +0.025 C 
BRANCH  25  28
ATOM     28  O   LIG    1        5.265   0.030   2.491  0.00  0.00    -0.392 OA
ATOM     29  H   LIG    1        5.144  -0.843   2.901  0.00  0.00    +0.210 HD
ENDBRANCH  25  28
ENDBRANCH   5  23
BRANCH   2  30
ATOM     30  C   LIG    1        0.598   3.569  -1.349  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -0.500   4.553  -1.637  0.00  0.00    +0.306 C 
ATOM     32  O   LIG    1       -1.289   4.500  -2.565  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -0.572   5.542  -0.728  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -1.307   6.109  -1.046  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   2  30
TORSDOF 7