REMARK  Name = BDB017089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.079  -4.708   0.869  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -1.790  -3.560   0.357  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -1.510  -2.233   0.615  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -2.450  -1.537  -0.142  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1       -3.274  -2.421  -0.820  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -2.850  -3.619  -0.498  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.429  -1.790   1.490  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        0.730  -1.222   0.941  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1        1.773  -0.785   1.765  0.00  0.00    +0.140 A 
ATOM     10  C   LIG    1        1.650  -0.949   3.154  0.00  0.00    +0.083 A 
ATOM     11 CL   LIG    1        2.906  -0.453   4.234  0.00  0.00    -0.080 Cl
ATOM     12  C   LIG    1        0.498  -1.515   3.707  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -0.542  -1.931   2.877  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  O   LIG    1        2.930  -0.209   1.310  0.00  0.00    -0.486 OA
BRANCH  14  15
ATOM     15  C   LIG    1        2.974   0.190  -0.061  0.00  0.00    +0.264 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.256   0.940  -0.351  0.00  0.00    -0.010 A 
ATOM     17  C   LIG    1        5.450   0.639   0.321  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        6.631   1.317   0.012  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.636   2.294  -0.981  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.460   2.593  -1.667  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.279   1.917  -1.358  0.00  0.00    +0.007 A 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   3   7
BRANCH   4  22
ATOM     22  C   LIG    1       -2.617  -0.086  -0.247  0.00  0.00    +0.092 A 
ATOM     23  N   LIG    1       -1.725   0.706   0.397  0.00  0.00    -0.253 NA
ATOM     24  C   LIG    1       -1.886   2.041   0.302  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1       -2.900   2.642  -0.419  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1       -3.814   1.825  -1.087  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -3.666   0.438  -0.997  0.00  0.00    +0.041 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -4.900   2.405  -1.862  0.00  0.00    +0.204 A 
ATOM     29  N   LIG    1       -5.117   3.726  -2.005  0.00  0.00    -0.133 NA
ATOM     30  N   LIG    1       -6.207   3.703  -2.787  0.00  0.00    -0.176 N 
ATOM     31  H   LIG    1       -6.664   4.553  -3.105  0.00  0.00    +0.214 HD
ATOM     32  N   LIG    1       -6.662   2.494  -3.127  0.00  0.00    -0.049 NA
ATOM     33  N   LIG    1       -5.830   1.647  -2.538  0.00  0.00    -0.108 NA
ENDBRANCH  26  28
ENDBRANCH   4  22
TORSDOF 6