REMARK  Name = BDB064264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.343  -0.904   1.284  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1       -1.647  -1.483   0.072  0.00  0.00    -0.297 N 
ATOM      3  H   LIG    1       -0.902  -1.957  -0.424  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -2.148  -0.373   2.036  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        4.789   0.416   1.020  0.00  0.00    +0.243 C 
ATOM      6  N   LIG    1        3.438   0.431   0.636  0.00  0.00    -0.268 N 
ATOM      7  C   LIG    1        2.421  -0.330   1.330  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        1.055  -0.179   0.992  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1        0.087  -0.976   1.648  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1        0.434  -1.874   2.655  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        1.770  -2.020   2.992  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        0.612   0.805  -0.062  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        1.642   1.895  -0.261  0.00  0.00    +0.024 C 
ATOM     14  C   LIG    1        2.746  -1.268   2.327  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        2.997   1.259  -0.494  0.00  0.00    +0.114 C 
ATOM     16  O   LIG    1        5.223   0.098   2.125  0.00  0.00    -0.270 OA
BRANCH   5  18
ATOM     17  C   LIG    1        6.987   1.267   0.293  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1        5.770   0.817  -0.038  0.00  0.00    +0.060 C 
ENDBRANCH   5  18
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1       -3.024  -1.431  -0.523  0.00  0.00    +0.106 C 
ATOM     20  C   LIG    1       -3.308  -2.671  -1.429  0.00  0.00    +0.192 C 
ATOM     21  O   LIG    1       -4.000  -3.354  -0.359  0.00  0.00    -0.375 OA
ATOM     22  C   LIG    1       -4.112  -2.104   0.371  0.00  0.00    +0.192 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.335   0.011  -1.157  0.00  0.00    -0.020 A 
ATOM     24  C   LIG    1       -3.899   1.053  -0.390  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -4.151   2.321  -0.924  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -3.837   2.583  -2.252  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -4.138   4.140  -2.916  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -3.272   1.589  -3.043  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -3.021   0.325  -2.498  0.00  0.00    +0.007 A 
ENDBRANCH  19  23
ENDBRANCH   2  19
TORSDOF 4