REMARK  Name = BDB019784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.516  -2.393   0.274  0.00  0.00    +0.126 A 
ATOM      2  C   LIG    1       -0.690  -1.319  -0.619  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.437  -0.629  -1.110  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        1.727  -1.013  -0.732  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        1.891  -2.108   0.120  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        0.777  -2.790   0.624  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.943  -0.308  -1.225  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        2.787   1.019  -1.564  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.942   1.500  -1.289  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        4.016  -0.900  -1.279  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.918   1.838  -1.937  0.00  0.00    +0.140 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.445   2.597  -0.746  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1        4.003   3.900  -0.472  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        4.474   4.591   0.650  0.00  0.00    +0.060 A 
ATOM     15 CL   LIG    1        3.879   6.193   0.912  0.00  0.00    -0.082 Cl
ATOM     16  C   LIG    1        5.390   3.981   1.513  0.00  0.00    +0.059 A 
ATOM     17 CL   LIG    1        6.011   4.772   2.918  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        5.827   2.680   1.252  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        5.355   1.992   0.132  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  O   LIG    1       -1.669  -2.972   0.729  0.00  0.00    -0.489 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -1.457  -5.366   1.035  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -1.611  -4.008   1.715  0.00  0.00    +0.167 C 
ATOM     23  C   LIG    1       -2.933  -3.956   2.478  0.00  0.00    +0.051 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
BRANCH   2  24
ATOM     24  C   LIG    1       -2.066  -0.848  -1.037  0.00  0.00    +0.141 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -2.521   0.161  -0.101  0.00  0.00    -0.329 N 
ATOM     26  H   LIG    1       -2.431  -0.126   0.867  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.581   0.972  -0.396  0.00  0.00    +0.090 C 
ATOM     28  C   LIG    1       -4.277   1.709   0.716  0.00  0.00    +0.073 C 
ATOM     29  C   LIG    1       -4.967   2.781  -0.088  0.00  0.00    +0.031 C 
ATOM     30  C   LIG    1       -5.201   2.088  -1.416  0.00  0.00    +0.143 C 
ATOM     31  N   LIG    1       -4.066   1.160  -1.585  0.00  0.00    -0.273 NA
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 8