REMARK  Name = BDB034391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.361  -2.068  -2.136  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -2.192  -1.545  -1.109  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -3.557  -1.910  -1.138  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -4.408  -1.410  -0.161  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -3.965  -0.559   0.864  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -2.616  -0.208   0.901  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1       -4.078  -2.729  -2.066  0.00  0.00    -0.255 NA
ATOM      8  C   LIG    1       -3.251  -3.228  -3.007  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1       -1.740  -0.694  -0.071  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -1.905  -2.941  -3.077  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        0.038  -1.815  -2.206  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1        0.216  -0.884  -1.831  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1        0.799  -2.804  -1.427  0.00  0.00    +0.103 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.304  -2.569  -1.581  0.00  0.00    +0.034 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.806  -1.231  -1.028  0.00  0.00    +0.083 C 
BRANCH  15  16
ATOM     16  N   LIG    1        2.505  -1.098   0.400  0.00  0.00    -0.312 NA
ATOM     17  H   LIG    1        3.020  -1.806   0.922  0.00  0.00    +0.122 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.859   0.229   0.918  0.00  0.00    +0.120 C 
BRANCH  18  20
ATOM     19  C   LIG    1        5.084   1.247   0.172  0.00  0.00    +0.125 A 
ATOM     20  C   LIG    1        4.348   0.447   1.072  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        5.019  -0.180   2.138  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        6.387  -0.009   2.300  0.00  0.00    +0.124 A 
ATOM     23  F   LIG    1        7.012  -0.612   3.320  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        7.114   0.778   1.421  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1        6.464   1.408   0.356  0.00  0.00    +0.049 A 
BRANCH  19  27
ATOM     26  C   LIG    1        5.075   2.612  -1.788  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        4.366   1.820  -0.845  0.00  0.00    -0.495 OA
ENDBRANCH  19  27
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   5  28
ATOM     28  C   LIG    1       -4.931  -0.037   1.900  0.00  0.00    +0.070 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.206   1.447   1.786  0.00  0.00    -0.043 A 
ATOM     30  C   LIG    1       -4.747   2.335   2.772  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -4.999   3.703   2.662  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1       -5.710   4.184   1.569  0.00  0.00    +0.123 A 
ATOM     33  F   LIG    1       -5.951   5.498   1.466  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -6.174   3.324   0.583  0.00  0.00    +0.038 A 
ATOM     35  C   LIG    1       -5.924   1.955   0.690  0.00  0.00    +0.007 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 10