REMARK  Name = BDB040984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.058  -1.575  -0.633  0.00  0.00    -0.254 N 
ATOM      2  C   LIG    1        1.639  -0.465  -0.005  0.00  0.00    +0.135 A 
ATOM      3  C   LIG    1        1.277   0.856  -0.221  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.013   1.595   0.741  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1        2.711   0.779   1.539  0.00  0.00    -0.170 NA
ATOM      6  C   LIG    1        2.093   3.060   0.980  0.00  0.00    +0.068 C 
ATOM      7  C   LIG    1        0.345   1.208  -1.333  0.00  0.00    +0.083 C 
ATOM      8  C   LIG    1       -0.602   0.035  -1.653  0.00  0.00    +0.171 C 
ATOM      9  N   LIG    1        2.716  -0.410   0.880  0.00  0.00    -0.218 N 
ATOM     10  C   LIG    1        0.112  -1.337  -1.650  0.00  0.00    +0.242 C 
ATOM     11  O   LIG    1       -0.283  -2.247  -2.386  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -0.359   2.526  -1.051  0.00  0.00    -0.037 A 
ATOM     13  C   LIG    1       -1.102   2.764   0.121  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -1.759   3.980   0.321  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -1.686   4.966  -0.652  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1       -2.314   6.133  -0.459  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -0.970   4.759  -1.823  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -0.312   3.543  -2.024  0.00  0.00    +0.007 A 
ENDBRANCH   7  12
BRANCH   9  19
ATOM     19  C   LIG    1        3.854  -1.253   1.018  0.00  0.00    +0.067 A 
ATOM     20  C   LIG    1        4.297  -2.050  -0.048  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        5.439  -2.840   0.099  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        6.154  -2.823   1.296  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.739  -2.005   2.346  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        4.598  -1.212   2.206  0.00  0.00    +0.028 A 
ENDBRANCH   9  19
BRANCH   8  25
ATOM     25  N   LIG    1       -1.726  -0.135  -0.717  0.00  0.00    -0.303 N 
ATOM     26  H   LIG    1       -1.510  -0.495   0.203  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -3.033  -0.144  -1.154  0.00  0.00    +0.219 C 
ATOM     28  O   LIG    1       -3.336   0.147  -2.308  0.00  0.00    -0.275 OA
BRANCH  27  29
ATOM     29  C   LIG    1       -4.079  -0.529  -0.089  0.00  0.00    +0.039 C 
ATOM     30  C   LIG    1       -5.484  -0.472  -0.712  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1       -3.817  -1.959   0.406  0.00  0.00    +0.020 C 
ATOM     32  C   LIG    1       -4.021   0.455   1.089  0.00  0.00    +0.020 C 
ENDBRANCH  27  29
ENDBRANCH   8  25
BRANCH   1  34
ATOM     33  C   LIG    1       -0.005  -3.511   0.496  0.00  0.00    +0.025 C 
ATOM     34  C   LIG    1        1.229  -2.972  -0.222  0.00  0.00    +0.112 C 
ENDBRANCH   1  34
TORSDOF 5