REMARK  Name = BDB012379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.666  -1.616  -0.714  0.00  0.00    +0.270 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.837   0.037  -2.256  0.00  0.00    +0.129 A 
ATOM      3  C   LIG    1       -0.678  -0.673  -1.900  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        0.469  -0.544  -2.704  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.464   0.280  -3.830  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -0.698   0.961  -4.177  0.00  0.00    +0.044 A 
ATOM      7 CL   LIG    1       -0.717   1.957  -5.581  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -1.851   0.835  -3.405  0.00  0.00    +0.066 A 
BRANCH   2   9
ATOM      9  O   LIG    1       -2.959  -0.153  -1.493  0.00  0.00    -0.484 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -5.076   0.977  -1.699  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1       -3.665   1.044  -1.117  0.00  0.00    +0.201 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -3.707   1.123   0.400  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1       -3.372   2.319   1.052  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -3.405   2.403   2.446  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -3.775   1.294   3.204  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.115   0.100   2.570  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.084   0.015   1.177  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   2   9
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  O   LIG    1        0.611  -1.660  -0.070  0.00  0.00    -0.471 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.897  -0.685   0.803  0.00  0.00    +0.220 A 
ATOM     20  N   LIG    1        2.208  -0.446   1.224  0.00  0.00    -0.182 N 
ATOM     21  N   LIG    1        2.259   0.570   2.143  0.00  0.00    -0.170 NA
ATOM     22  C   LIG    1        0.997   0.971   2.269  0.00  0.00    +0.138 A 
ATOM     23  C   LIG    1        0.115   0.238   1.466  0.00  0.00    +0.088 A 
BRANCH  20  24
ATOM     24  C   LIG    1        3.410  -1.104   0.795  0.00  0.00    +0.158 A 
ATOM     25  N   LIG    1        3.338  -2.072  -0.160  0.00  0.00    -0.236 NA
ATOM     26  C   LIG    1        4.483  -2.673  -0.545  0.00  0.00    +0.114 A 
ATOM     27  C   LIG    1        5.722  -2.357  -0.029  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1        5.789  -1.362   0.944  0.00  0.00    +0.064 A 
ATOM     29  C   LIG    1        4.622  -0.722   1.367  0.00  0.00    +0.063 A 
BRANCH  28  30
ATOM     30  C   LIG    1        7.119  -1.020   1.498  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1        8.174  -1.534   1.174  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        7.065  -0.054   2.429  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        7.997   0.069   2.705  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH  20  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9