REMARK  Name = BDB022019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.506   0.097  -1.798  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.300   0.670  -1.394  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        0.074   0.925  -0.002  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        1.554   0.654   0.248  0.00  0.00    +0.032 C 
ATOM      5  C   LIG    1        2.471   1.470  -0.680  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1        1.761   1.892  -1.977  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1        0.733   0.856  -2.412  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -1.700  -0.348  -2.927  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -4.325  -1.341   0.234  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1       -4.780  -0.190   0.911  0.00  0.00    +0.204 A 
ATOM     11  C   LIG    1       -4.136   1.046   0.741  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1       -3.082   1.148  -0.166  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1       -2.623   0.009  -0.832  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -3.246  -1.230  -0.645  0.00  0.00    +0.062 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -4.590  -3.674  -0.202  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -5.001  -2.505   0.497  0.00  0.00    -0.491 OA
ENDBRANCH   9  16
BRANCH  10  17
ATOM     17  O   LIG    1       -5.858  -0.297   1.759  0.00  0.00    -0.488 OA
ATOM     18  C   LIG    1       -7.072  -0.153   1.018  0.00  0.00    +0.277 C 
ENDBRANCH  10  17
BRANCH  11  19
ATOM     19  O   LIG    1       -4.477   2.226   1.349  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1       -4.823   2.117   2.728  0.00  0.00    +0.277 C 
ENDBRANCH  11  19
ENDBRANCH   1  13
BRANCH   5  21
ATOM     21  C   LIG    1        3.744   0.667  -0.973  0.00  0.00    +0.220 C 
ATOM     22  N   LIG    1        4.540   0.520   0.153  0.00  0.00    -0.285 N 
ATOM     23  H   LIG    1        4.223   0.979   0.997  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        3.979   0.215  -2.088  0.00  0.00    -0.275 OA
BRANCH  22  25
ATOM     25  C   LIG    1        5.761  -0.179   0.258  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        6.397  -0.168   1.508  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        7.610  -0.837   1.698  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        8.194  -1.523   0.638  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        9.685  -2.347   0.869  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        7.574  -1.544  -0.608  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        6.360  -0.873  -0.796  0.00  0.00    +0.025 A 
ENDBRANCH  22  25
ENDBRANCH   5  21
TORSDOF 6