REMARK  Name = BDB014293
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.338   0.094  -0.702  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        2.395  -0.452   0.173  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        2.605  -1.693   0.761  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1        1.487  -1.975   1.581  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.610  -0.910   1.482  0.00  0.00    +0.023 A 
ATOM      6  N   LIG    1        3.710  -2.443   0.538  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        4.609  -1.898  -0.308  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1        1.182   0.006   0.630  0.00  0.00    -0.356 N 
ATOM      9  H   LIG    1        0.777   0.891   0.345  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1        4.481  -0.671  -0.939  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1        3.985   1.903  -2.131  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1        3.184   1.401  -1.365  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1        2.036   2.029  -1.046  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1        2.089   2.861  -1.566  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1       -0.717  -0.679   2.130  0.00  0.00    +0.088 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.821  -0.395   1.134  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -2.390   0.884   1.038  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1       -3.410   1.165   0.105  0.00  0.00    +0.073 A 
ATOM     19  C   LIG    1       -3.852   0.136  -0.734  0.00  0.00    +0.053 A 
ATOM     20 CL   LIG    1       -5.092   0.380  -1.909  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -3.290  -1.141  -0.645  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1       -2.281  -1.405   0.282  0.00  0.00    +0.005 A 
BRANCH  18  23
ATOM     23  C   LIG    1       -3.997   2.549   0.027  0.00  0.00    +0.419 C 
ATOM     24  F   LIG    1       -5.332   2.582   0.284  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -3.436   3.414   0.924  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -3.820   3.135  -1.189  0.00  0.00    -0.166 F 
ENDBRANCH  18  23
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 5