REMARK  Name = BDB028654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.487   0.064  -0.338  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1       -0.768  -0.279   0.822  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1       -1.420  -1.017   1.795  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1       -0.590  -1.214   2.853  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1        0.625  -0.606   2.604  0.00  0.00    -0.060 NA
ATOM      6  C   LIG    1       -2.733  -1.477   1.707  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.445  -1.137   0.546  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        0.527  -0.087   1.374  0.00  0.00    +0.192 A 
ATOM      9  C   LIG    1       -2.823  -0.365  -0.453  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -1.104   0.448  -2.620  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -0.903   0.875  -1.274  0.00  0.00    -0.494 OA
ENDBRANCH   1  11
BRANCH   8  12
ATOM     12  N   LIG    1        1.650   0.557   0.857  0.00  0.00    -0.196 N 
ATOM     13  H   LIG    1        2.407   0.583   1.537  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1        2.168   0.233  -0.711  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        1.651  -1.042  -1.164  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        2.049   1.435  -1.506  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.914  -0.009  -0.417  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        4.808   1.051  -0.613  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        6.180   0.859  -0.388  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1        6.631  -0.409   0.016  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        5.733  -1.464   0.200  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.371  -1.268  -0.019  0.00  0.00    +0.029 A 
BRANCH  19  23
ATOM     23  C   LIG    1        7.157   1.989  -0.615  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1        8.319   1.840   0.081  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        6.657   3.200  -0.247  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        7.515   2.109  -1.922  0.00  0.00    -0.166 F 
ENDBRANCH  19  23
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   7  27
ATOM     27  C   LIG    1       -4.879  -1.585   0.377  0.00  0.00    +0.178 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -5.805  -0.462   0.424  0.00  0.00    -0.267 N 
ATOM     29  N   LIG    1       -6.336   0.025  -0.717  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1       -7.129   1.015  -0.299  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1       -7.122   1.153   1.101  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1       -6.262   0.177   1.544  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH   7  27
TORSDOF 7