REMARK  Name = BDB020490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.862   3.036   0.963  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -4.011   2.182  -0.293  0.00  0.00    +0.171 C 
ATOM      3  N   LIG    1       -2.918   1.232  -0.420  0.00  0.00    -0.318 N 
ATOM      4  C   LIG    1       -1.798   1.499  -1.164  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -1.018   0.371  -1.042  0.00  0.00    +0.097 A 
ATOM      6  N   LIG    1       -1.635  -0.549  -0.230  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -1.657   2.798  -1.847  0.00  0.00    +0.163 C 
ATOM      8  N   LIG    1       -2.968   3.235  -2.309  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -2.991   4.188  -3.404  0.00  0.00    +0.132 C 
ATOM     10  C   LIG    1       -2.791  -0.020   0.126  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1       -4.106   3.092  -1.520  0.00  0.00    +0.238 C 
ATOM     12  O   LIG    1       -5.158   3.691  -1.760  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        0.292   0.145  -1.622  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        1.417  -0.167  -0.807  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        2.672  -0.388  -1.416  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        3.787  -0.685  -0.619  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        3.653  -0.753   0.766  0.00  0.00    +0.045 A 
ATOM     18  N   LIG    1        2.469  -0.542   1.376  0.00  0.00    -0.259 NA
ATOM     19  C   LIG    1        2.794  -0.309  -2.812  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        1.689  -0.012  -3.606  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        1.395  -0.268   0.593  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        0.453   0.210  -3.010  0.00  0.00    +0.133 A 
ATOM     23  F   LIG    1       -0.588   0.491  -3.810  0.00  0.00    -0.205 F 
BRANCH  17  24
ATOM     24  C   LIG    1        4.826  -1.074   1.669  0.00  0.00    +0.042 C 
ATOM     25  C   LIG    1        5.909   0.018   1.635  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1        7.294  -0.549   1.927  0.00  0.00    +0.160 C 
ATOM     27  O   LIG    1        7.206  -1.598   2.881  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1        6.548  -2.762   2.375  0.00  0.00    +0.160 C 
ATOM     29  C   LIG    1        5.431  -2.450   1.381  0.00  0.00    +0.038 C 
ENDBRANCH  17  24
ENDBRANCH   5  13
BRANCH  10  30
ATOM     30  C   LIG    1       -3.823  -0.693   0.989  0.00  0.00    +0.060 C 
ATOM     31  C   LIG    1       -3.164  -1.464   2.146  0.00  0.00    +0.039 C 
ATOM     32  C   LIG    1       -3.028  -2.938   1.797  0.00  0.00    +0.160 C 
ATOM     33  O   LIG    1       -4.299  -3.559   1.590  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -5.289  -2.732   0.980  0.00  0.00    +0.160 C 
ATOM     35  C   LIG    1       -4.702  -1.616   0.130  0.00  0.00    +0.039 C 
ENDBRANCH  10  30
TORSDOF 3