REMARK  Name = BDB009184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.185  -1.700   0.643  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.045  -1.683  -0.016  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.097  -2.519   0.397  0.00  0.00    -0.045 A 
ATOM      4  C   LIG    1       -0.903  -3.376   1.486  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.324  -3.404   2.144  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.363  -2.571   1.724  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.345   0.077  -0.700  0.00  0.00    +0.255 C 
ATOM      8  N   LIG    1        2.278  -0.889   0.286  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        3.134  -1.004   0.823  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        1.436   0.424  -1.451  0.00  0.00    -0.272 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.726   0.733  -0.800  0.00  0.00    +0.324 C 
BRANCH  11  12
ATOM     12  O   LIG    1        4.609   0.241   0.207  0.00  0.00    -0.483 OA
BRANCH  12  17
ATOM     13  C   LIG    1        9.958   2.103   0.600  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        8.548   1.612   0.452  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        7.713   2.138  -0.540  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        6.387   1.705  -0.662  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        5.879   0.748   0.215  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        6.706   0.233   1.216  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        8.030   0.663   1.339  0.00  0.00    +0.007 A 
ENDBRANCH  12  17
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  20
ATOM     20  C   LIG    1       -2.428  -2.473  -0.315  0.00  0.00    +0.041 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.268  -1.282   0.148  0.00  0.00    +0.062 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.609  -1.169  -0.571  0.00  0.00    +0.065 A 
ATOM     23  C   LIG    1       -5.324   0.146  -0.531  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -4.751   1.305   0.236  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -5.756   2.439   0.459  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.552   2.725  -0.809  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -7.314   1.481  -1.272  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -6.492   0.225  -1.192  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -7.032  -0.970  -1.887  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -8.097  -0.938  -2.494  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -6.275  -2.107  -1.797  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -6.627  -2.936  -2.264  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -5.081  -2.226  -1.160  0.00  0.00    -0.176 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7