REMARK  Name = BDB019779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.441   1.832   0.540  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.744   1.225   0.987  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.768  -0.120   1.382  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.412  -0.871   1.357  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.612  -0.290   0.921  0.00  0.00    -0.029 A 
ATOM      6  C   LIG    1        1.611   1.053   0.509  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -0.588   6.657   1.389  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.033   5.572   0.516  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1        0.490   5.941  -0.674  0.00  0.00    -0.257 NA
ATOM     10  C   LIG    1        0.994   4.973  -1.472  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        1.562   5.399  -2.792  0.00  0.00    +0.065 C 
ATOM     12  C   LIG    1        0.996   3.629  -1.111  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        0.457   3.244   0.121  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -0.067   4.248   0.943  0.00  0.00    +0.031 A 
ENDBRANCH   1  13
BRANCH   3  15
ATOM     15  C   LIG    1       -2.062  -0.698   1.838  0.00  0.00    +0.244 C 
ATOM     16  N   LIG    1       -2.213  -2.059   1.687  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1       -1.590  -2.556   1.065  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1       -2.940   0.031   2.287  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -3.492  -2.695   1.932  0.00  0.00    +0.160 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.336  -2.728   0.679  0.00  0.00    +0.060 A 
ATOM     21  N   LIG    1       -4.137  -3.765  -0.177  0.00  0.00    -0.258 NA
ATOM     22  C   LIG    1       -4.866  -3.787  -1.314  0.00  0.00    +0.112 A 
ATOM     23  C   LIG    1       -5.782  -2.813  -1.657  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1       -5.953  -1.755  -0.777  0.00  0.00    +0.044 A 
ATOM     25 CL   LIG    1       -7.072  -0.504  -1.156  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -5.227  -1.697   0.406  0.00  0.00    +0.045 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  27
ATOM     27  C   LIG    1        2.879  -1.111   0.879  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  N   LIG    1        2.802  -2.039  -0.233  0.00  0.00    -0.313 N 
ATOM     29  H   LIG    1        2.511  -1.596  -1.095  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        3.795  -2.934  -0.424  0.00  0.00    +0.176 C 
ATOM     31  N   LIG    1        3.723  -3.590  -1.611  0.00  0.00    -0.316 N 
ATOM     32  H   LIG    1        2.780  -3.859  -1.865  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1        4.667  -4.688  -1.540  0.00  0.00    +0.127 C 
ATOM     34  C   LIG    1        5.536  -4.269  -0.350  0.00  0.00    +0.163 C 
ATOM     35  N   LIG    1        4.758  -3.239   0.392  0.00  0.00    -0.255 NA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7