REMARK  Name = BDB058621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.387  -1.207   0.231  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.425  -2.495  -0.299  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        2.470  -3.305  -0.069  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.379  -2.969  -1.084  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -0.725  -2.152  -1.335  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.790  -0.858  -0.795  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.268  -0.396   0.003  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        2.165  -0.134   2.139  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        2.475  -0.695   1.089  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1        3.803  -0.842   0.690  0.00  0.00    -0.288 N 
ATOM     11  C   LIG    1        4.216  -0.894  -0.722  0.00  0.00    +0.184 C 
ATOM     12  C   LIG    1        4.945   0.363  -1.064  0.00  0.00    +0.151 A 
ATOM     13  N   LIG    1        5.417   1.227  -0.110  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1        6.033   2.237  -0.768  0.00  0.00    +0.225 A 
ATOM     15  N   LIG    1        5.958   2.014  -2.061  0.00  0.00    -0.138 NA
ATOM     16  C   LIG    1        5.227   1.058   1.315  0.00  0.00    +0.143 C 
ATOM     17  N   LIG    1        5.272   0.831  -2.250  0.00  0.00    -0.133 NA
ATOM     18  C   LIG    1        4.845  -0.391   1.617  0.00  0.00    +0.130 C 
ENDBRANCH   1   9
BRANCH   6  19
ATOM     19  C   LIG    1       -2.002   0.015  -1.040  0.00  0.00    +0.093 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.166  -0.199  -0.077  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1       -4.361   0.674  -0.215  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1       -5.412   0.468   0.676  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -6.570   1.253   0.608  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1       -6.676   2.249  -0.360  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.629   2.459  -1.258  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.295  -0.590   1.692  0.00  0.00    +0.272 A 
ATOM     27  O   LIG    1       -6.194  -0.805   2.497  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -4.129  -1.313   1.675  0.00  0.00    -0.242 N 
ATOM     29  H   LIG    1       -4.023  -2.044   2.372  0.00  0.00    +0.192 HD
ATOM     30  C   LIG    1       -4.473   1.675  -1.189  0.00  0.00    +0.010 A 
ATOM     31  N   LIG    1       -3.086  -1.135   0.823  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 3