REMARK  Name = BDB034574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.228  -0.452   0.754  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1        0.086  -0.389   0.217  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        1.226  -0.148   0.993  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1        1.079   0.039   2.365  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.184  -0.022   2.942  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.309  -0.268   2.148  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.514  -0.754  -0.220  0.00  0.00    +0.008 C 
ATOM      8  C   LIG    1       -2.383  -2.091  -1.044  0.00  0.00    +0.049 C 
ATOM      9  C   LIG    1       -2.958  -1.359  -2.273  0.00  0.00    +0.168 C 
ATOM     10  F   LIG    1       -2.386  -1.652  -3.461  0.00  0.00    -0.245 F 
ATOM     11  C   LIG    1       -2.525  -0.032  -1.620  0.00  0.00    +0.049 C 
BRANCH   7  12
ATOM     12  C   LIG    1       -3.885  -0.714   0.511  0.00  0.00    +0.088 C 
BRANCH  12  15
ATOM     13  C   LIG    1       -6.303   0.752  -0.824  0.00  0.00    +0.151 C 
ATOM     14  N   LIG    1       -5.459   1.270   0.218  0.00  0.00    -0.320 N 
ATOM     15  C   LIG    1       -4.391   0.657   0.826  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1       -3.933   1.467   1.760  0.00  0.00    -0.135 NA
ATOM     17  N   LIG    1       -4.682   2.618   1.747  0.00  0.00    -0.138 NA
ATOM     18  C   LIG    1       -5.593   2.486   0.815  0.00  0.00    +0.224 A 
ENDBRANCH  12  15
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        2.531  -0.080   0.473  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        3.285   0.110   1.129  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        2.945  -0.231  -0.837  0.00  0.00    +0.267 C 
ATOM     22  O   LIG    1        2.249  -0.466  -1.817  0.00  0.00    -0.268 OA
BRANCH  21  23
ATOM     23  C   LIG    1        4.430  -0.077  -0.998  0.00  0.00    +0.126 A 
ATOM     24  N   LIG    1        5.136   0.172   0.143  0.00  0.00    -0.238 NA
ATOM     25  C   LIG    1        6.489   0.317   0.026  0.00  0.00    +0.144 A 
ATOM     26  C   LIG    1        7.137   0.216  -1.209  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1        6.388  -0.040  -2.356  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.010  -0.190  -2.254  0.00  0.00    +0.033 A 
BRANCH  25  29
ATOM     29  C   LIG    1        7.326   0.596   1.269  0.00  0.00    +0.434 C 
ATOM     30  F   LIG    1        6.600   0.672   2.420  0.00  0.00    -0.164 F 
ATOM     31  F   LIG    1        8.271  -0.364   1.487  0.00  0.00    -0.164 F 
ATOM     32  F   LIG    1        8.012   1.772   1.182  0.00  0.00    -0.164 F 
ENDBRANCH  25  29
ENDBRANCH  21  23
ENDBRANCH   3  19
TORSDOF 6