REMARK  Name = BDB002412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.555   0.209  -1.562  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -0.679  -0.806  -0.399  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -0.972  -0.456   0.750  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -0.364  -2.130  -0.694  0.00  0.00    -0.291 N 
ATOM      5  C   LIG    1        0.193  -2.528  -1.982  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        1.612  -2.017  -2.219  0.00  0.00    +0.019 C 
ATOM      7  C   LIG    1        1.920  -0.625  -1.671  0.00  0.00    +0.004 C 
ATOM      8  C   LIG    1        0.900   0.470  -1.983  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -2.562   1.620  -1.339  0.00  0.00    +0.230 C 
ATOM     10  N   LIG    1       -1.201   1.462  -1.162  0.00  0.00    -0.303 N 
ATOM     11  H   LIG    1       -0.789   1.922  -0.359  0.00  0.00    +0.149 HD
ATOM     12  O   LIG    1       -3.223   0.833  -2.020  0.00  0.00    -0.274 OA
BRANCH   9  13
ATOM     13  C   LIG    1       -3.187   2.901  -0.718  0.00  0.00    +0.137 C 
ATOM     14  C   LIG    1       -2.643   3.269   0.661  0.00  0.00    +0.034 C 
BRANCH  13  16
ATOM     15  C   LIG    1       -5.206   1.889   0.279  0.00  0.00    +0.101 C 
ATOM     16  N   LIG    1       -4.670   2.798  -0.731  0.00  0.00    -0.309 NA
ATOM     17  H   LIG    1       -4.924   2.419  -1.649  0.00  0.00    +0.122 HD
ENDBRANCH  13  16
ENDBRANCH   9  13
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -0.373  -3.106   0.396  0.00  0.00    +0.205 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.911  -3.019   1.216  0.00  0.00    +0.246 C 
ATOM     20  N   LIG    1        0.847  -2.073   2.232  0.00  0.00    -0.235 N 
ATOM     21  H   LIG    1        0.112  -1.363   2.198  0.00  0.00    +0.173 HD
ATOM     22  O   LIG    1        1.924  -3.669   0.958  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  N   LIG    1        2.065  -1.724   2.865  0.00  0.00    -0.264 N 
ATOM     24  H   LIG    1        2.727  -2.505   2.760  0.00  0.00    +0.170 HD
BRANCH  23  25
ATOM     25  C   LIG    1        2.631  -0.528   2.349  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        1.875   0.639   2.172  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        2.458   1.803   1.659  0.00  0.00    +0.061 A 
ATOM     28 CL   LIG    1        1.427   3.166   1.401  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1        3.822   1.826   1.360  0.00  0.00    +0.059 A 
ATOM     30 CL   LIG    1        4.606   3.222   0.712  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1        4.598   0.689   1.587  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        4.007  -0.475   2.088  0.00  0.00    +0.026 A 
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 7