REMARK  Name = BDB014943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.820   4.269   0.478  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.358   3.959   0.284  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.011   2.636   0.046  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.584   2.389  -0.234  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.262   0.941  -0.122  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.019   0.261  -0.187  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.202  -1.056  -0.053  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.528  -1.227   0.106  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.208  -0.047   0.058  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.663   0.208   0.195  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.977   1.603  -0.387  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.522   4.861   0.348  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -3.021  -2.580   0.287  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -4.011  -3.018  -0.785  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -5.243  -3.327  -0.112  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -4.893  -3.709   1.222  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -3.740  -2.811   1.607  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.151   0.917  -0.367  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1        0.130   1.931  -0.435  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.486   0.458  -0.464  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        2.506   1.405  -0.658  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        2.178   2.706  -0.743  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        3.848   1.048  -0.768  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        4.213  -0.295  -0.681  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1        3.214  -1.259  -0.498  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        1.867  -0.884  -0.389  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.598  -0.700  -0.804  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        6.660  -0.201  -0.066  0.00  0.00    +0.044 A 
ATOM     29  C   LIG    1        6.725   0.813   1.018  0.00  0.00    +0.066 C 
ATOM     30  N   LIG    1        7.769  -0.868  -0.530  0.00  0.00    -0.271 N 
ATOM     31  C   LIG    1        9.139  -0.696  -0.102  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        7.493  -1.787  -1.473  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.174  -1.683  -1.639  0.00  0.00    +0.143 A 
ENDBRANCH  24  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4