REMARK  Name = BDB019545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.608   0.768  -1.019  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1       -0.258   0.986  -1.323  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.498  -0.015  -1.941  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.090  -1.228  -2.309  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.439  -1.468  -2.019  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -2.183  -0.465  -1.375  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.963   1.605   0.946  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1       -2.405   1.806  -0.339  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -2.618   3.040  -0.982  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.365   4.049  -0.375  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.912   3.841   0.886  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.714   2.625   1.544  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -3.196   0.177   2.851  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -2.713   0.388   1.531  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  C   LIG    1        1.925   0.200  -2.248  0.00  0.00    +0.244 C 
ATOM     16  N   LIG    1        2.788   0.553  -1.239  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        3.748   0.571  -1.563  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        2.330   0.041  -3.394  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.580   0.281   0.170  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.774   0.716   0.978  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        3.963   2.073   1.286  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        5.079   2.490   2.020  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1        5.231   4.177   2.359  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        6.021   1.550   2.448  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1        7.423   1.989   3.358  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        5.844   0.199   2.136  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        4.729  -0.216   1.403  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  28
ATOM     28  C   LIG    1       -2.073  -2.793  -2.357  0.00  0.00    +0.157 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -1.655  -3.829  -1.429  0.00  0.00    -0.332 N 
ATOM     30  C   LIG    1       -2.048  -3.943  -0.125  0.00  0.00    +0.199 A 
ATOM     31  N   LIG    1       -1.520  -5.004   0.443  0.00  0.00    -0.244 NA
ATOM     32  C   LIG    1       -0.761  -5.597  -0.532  0.00  0.00    +0.130 A 
ATOM     33  C   LIG    1       -0.833  -4.886  -1.708  0.00  0.00    +0.107 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7