REMARK  Name = BDB049225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.525  -0.369   1.195  0.00  0.00    +0.075 C 
ATOM      2  C   LIG    1        0.446   0.259   0.275  0.00  0.00    +0.025 C 
ATOM      3  C   LIG    1        1.275   1.114  -0.716  0.00  0.00    +0.090 C 
ATOM      4  N   LIG    1        2.682   0.871  -0.400  0.00  0.00    -0.294 NA
ATOM      5  C   LIG    1        2.752  -0.425   0.265  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        3.597   1.130  -1.508  0.00  0.00    +0.090 C 
ATOM      7  C   LIG    1        5.039   1.169  -1.080  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        5.751   0.060  -1.554  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1        7.094  -0.111  -1.253  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        7.734   0.861  -0.478  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        7.027   1.981  -0.014  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.864  -0.851  -2.339  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1        5.676   2.130  -0.318  0.00  0.00    +0.128 A 
ATOM     14  F   LIG    1        5.014   3.209   0.120  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        3.665   0.064  -2.632  0.00  0.00    +0.028 C 
ENDBRANCH   4   6
BRANCH   2  16
ATOM     16  C   LIG    1       -0.670   1.082   0.982  0.00  0.00    -0.002 C 
ATOM     17  C   LIG    1       -1.491   0.293   2.020  0.00  0.00    +0.023 C 
ATOM     18  C   LIG    1       -2.702  -0.381   1.380  0.00  0.00    +0.107 C 
ATOM     19  N   LIG    1       -3.622   0.645   0.875  0.00  0.00    -0.315 N 
ATOM     20  C   LIG    1       -3.042   1.915   0.431  0.00  0.00    +0.107 C 
ATOM     21  C   LIG    1       -1.614   1.709  -0.076  0.00  0.00    +0.023 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -4.795   0.176   0.296  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1       -4.931  -1.150   0.075  0.00  0.00    -0.240 NA
ATOM     24  C   LIG    1       -6.086  -1.611  -0.472  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1       -7.152  -0.802  -0.828  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1       -7.030   0.559  -0.575  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1       -5.846   1.044  -0.009  0.00  0.00    +0.044 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -8.354  -1.429  -1.422  0.00  0.00    +0.243 C 
ATOM     29  O   LIG    1       -8.537  -2.638  -1.372  0.00  0.00    -0.270 OA
ATOM     30  N   LIG    1       -9.249  -0.617  -2.063  0.00  0.00    -0.325 N 
ATOM     31  H   LIG    1       -9.031   0.326  -2.349  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1      -10.002  -1.087  -2.551  0.00  0.00    +0.145 HD
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH   2  16
BRANCH   1  34
ATOM     33  C   LIG    1        2.111  -1.958   2.932  0.00  0.00    +0.104 C 
ATOM     34  N   LIG    1        1.145  -1.619   1.884  0.00  0.00    -0.304 NA
ATOM     35  C   LIG    1        0.932  -2.771   1.011  0.00  0.00    +0.104 C 
ENDBRANCH   1  34
TORSDOF 5