REMARK  Name = BDB061794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.039   0.414  -0.247  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.061   1.176   0.912  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.034   2.086   1.059  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.858   1.008   1.942  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.903   0.091   1.799  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.052  -0.650   0.615  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        1.099  -0.489  -0.404  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  15
ATOM      8  C   LIG    1       -4.275  -0.765  -0.169  0.00  0.00    +0.093 C 
ATOM      9  N   LIG    1       -5.078   0.404  -0.610  0.00  0.00    -0.288 N 
ATOM     10  C   LIG    1       -5.922   1.121   0.265  0.00  0.00    +0.320 C 
ATOM     11  O   LIG    1       -6.011   0.832   1.463  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1       -4.567   1.068  -1.825  0.00  0.00    +0.127 C 
ATOM     13  C   LIG    1       -3.183   0.568  -2.278  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1       -2.266   0.377  -1.149  0.00  0.00    -0.294 N 
ATOM     15  C   LIG    1       -0.907   0.589  -1.363  0.00  0.00    +0.249 C 
ATOM     16  O   LIG    1       -0.434   0.877  -2.461  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -2.812  -0.311   0.041  0.00  0.00    +0.130 C 
BRANCH  10  18
ATOM     18  C   LIG    1       -6.737   2.304  -0.327  0.00  0.00    +0.470 C 
ATOM     19  F   LIG    1       -7.180   2.058  -1.595  0.00  0.00    -0.162 F 
ATOM     20  F   LIG    1       -7.845   2.605   0.406  0.00  0.00    -0.162 F 
ATOM     21  F   LIG    1       -6.002   3.450  -0.398  0.00  0.00    -0.162 F 
ENDBRANCH  10  18
BRANCH   8  23
ATOM     22  C   LIG    1       -4.201  -2.972   1.117  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -4.825  -1.584   1.013  0.00  0.00    +0.021 C 
ENDBRANCH   8  23
ENDBRANCH   1  15
BRANCH   6  24
ATOM     24  C   LIG    1        3.192  -1.635   0.441  0.00  0.00    +0.162 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.511  -1.070   0.729  0.00  0.00    -0.289 N 
ATOM     26  C   LIG    1        5.173  -0.216  -0.207  0.00  0.00    +0.059 A 
ATOM     27  C   LIG    1        6.427   0.318   0.114  0.00  0.00    +0.063 A 
ATOM     28  C   LIG    1        7.113   1.165  -0.768  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        6.547   1.490  -1.996  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.303   0.969  -2.336  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        7.039  -0.018   1.408  0.00  0.00    +0.262 A 
ATOM     32  O   LIG    1        8.128   0.429   1.749  0.00  0.00    -0.267 OA
ATOM     33  N   LIG    1        6.320  -0.859   2.209  0.00  0.00    -0.274 N 
ATOM     34  H   LIG    1        6.724  -1.087   3.104  0.00  0.00    +0.173 HD
ATOM     35  C   LIG    1        4.623   0.122  -1.452  0.00  0.00    +0.027 A 
ATOM     36  C   LIG    1        5.086  -1.383   1.952  0.00  0.00    +0.330 A 
ATOM     37  O   LIG    1        4.548  -2.088   2.805  0.00  0.00    -0.246 OA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 5