REMARK  Name = BDB049628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.456   0.519   0.665  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.172   1.608   0.146  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.544   1.509   0.253  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.914   0.576   0.328  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.597   2.561  -0.374  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.498   2.511  -0.027  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1       -5.840   2.119  -0.092  0.00  0.00    +0.061 A 
ATOM      8  C   LIG    1       -6.829   3.063  -0.351  0.00  0.00    +0.125 A 
ATOM      9  F   LIG    1       -8.109   2.671  -0.415  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -6.514   4.401  -0.542  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -5.184   4.803  -0.468  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -4.181   3.861  -0.208  0.00  0.00    +0.023 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     13  N   LIG    1        2.678  -0.172  -0.428  0.00  0.00    -0.300 NA
ATOM     14  C   LIG    1        2.349  -0.206   1.011  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        0.859  -0.347   1.342  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        0.009   0.501   0.395  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1        0.308   0.127  -1.067  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        1.582  -0.709  -1.239  0.00  0.00    +0.086 C 
BRANCH  13  19
ATOM     19  C   LIG    1        4.019  -0.757  -0.708  0.00  0.00    +0.054 C 
ATOM     20  C   LIG    1        4.342  -0.811  -2.212  0.00  0.00    +0.024 C 
BRANCH  19  21
ATOM     21  C   LIG    1        5.120   0.054   0.035  0.00  0.00    +0.018 C 
BRANCH  21  23
ATOM     22  C   LIG    1        7.515   0.189   0.819  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.533  -0.528  -0.096  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  16
BRANCH   1  24
ATOM     24  C   LIG    1       -2.062  -0.568   1.447  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.263  -1.860   0.688  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -2.022  -3.083   1.336  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -2.235  -4.296   0.679  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.703  -4.306  -0.632  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.961  -3.104  -1.285  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.749  -1.889  -0.628  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7