REMARK  Name = BDB019770
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.035   1.664   0.193  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        0.307   1.521  -0.192  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.857   0.251  -0.406  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.053  -0.886  -0.256  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.285  -0.769   0.143  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1       -1.819   0.511   0.361  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.573   3.094  -1.947  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -2.333   3.685  -0.585  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -1.611   2.995   0.407  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -1.451   3.635   1.639  0.00  0.00    +0.119 A 
ATOM     11  N   LIG    1       -1.934   4.862   1.944  0.00  0.00    -0.263 NA
ATOM     12  C   LIG    1       -2.625   5.490   0.973  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -2.849   4.953  -0.284  0.00  0.00    +0.023 A 
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        2.275   0.063  -0.823  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        3.165   1.041  -0.433  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        2.881   1.718   0.260  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        2.603  -0.940  -1.447  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.583   0.902  -0.672  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.278   0.348   0.545  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1        5.894   1.201   1.472  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        6.511   0.675   2.608  0.00  0.00    +0.043 A 
ATOM     22 CL   LIG    1        7.264   1.737   3.734  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        6.521  -0.698   2.842  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        5.904  -1.547   1.929  0.00  0.00    +0.043 A 
ATOM     25 CL   LIG    1        5.900  -3.244   2.211  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        5.284  -1.034   0.788  0.00  0.00    +0.025 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  27
ATOM     27  C   LIG    1       -2.153  -1.996   0.282  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -2.721  -2.329  -1.007  0.00  0.00    -0.313 N 
ATOM     29  H   LIG    1       -3.040  -1.510  -1.516  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -3.615  -3.328  -1.156  0.00  0.00    +0.176 C 
ATOM     31  N   LIG    1       -3.387  -4.487  -0.486  0.00  0.00    -0.316 N 
ATOM     32  H   LIG    1       -2.413  -4.764  -0.498  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1       -4.301  -5.470  -1.032  0.00  0.00    +0.127 C 
ATOM     34  C   LIG    1       -5.317  -4.578  -1.753  0.00  0.00    +0.163 C 
ATOM     35  N   LIG    1       -4.660  -3.253  -1.926  0.00  0.00    -0.255 NA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7