REMARK  Name = BDB045699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.771  -0.067  -0.129  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        2.917   1.040  -0.230  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        1.536   0.910  -0.251  0.00  0.00    +0.077 A 
ATOM      4  N   LIG    1        0.771   2.003  -0.357  0.00  0.00    -0.239 NA
ATOM      5  CA  LIG    1       -0.590   1.899  -0.392  0.00  0.00    +0.158 A 
ATOM      6  C   LIG    1       -1.227   0.649  -0.276  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -0.406  -0.483  -0.176  0.00  0.00    +0.059 A 
ATOM      8  N   LIG    1       -1.231  -1.580  -0.100  0.00  0.00    -0.351 N 
ATOM      9  H   LIG    1       -0.921  -2.539  -0.028  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -2.548  -1.205  -0.094  0.00  0.00    +0.083 A 
ATOM     11  C   LIG    1       -3.698  -1.990  -0.001  0.00  0.00    +0.147 A 
ATOM     12  F   LIG    1       -3.611  -3.323   0.089  0.00  0.00    -0.203 F 
ATOM     13  C   LIG    1       -4.941  -1.367   0.005  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -5.025   0.018  -0.076  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -3.863   0.800  -0.171  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -2.589   0.185  -0.192  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        1.005  -0.388  -0.164  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        1.843  -1.517  -0.062  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        3.228  -1.348  -0.046  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  21
ATOM     20  C   LIG    1        6.018  -0.843  -0.014  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        5.104   0.240  -0.123  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
BRANCH   5  22
ATOM     22  C   LIG    1       -1.318   3.175  -0.568  0.00  0.00    +0.356 C 
ATOM     23  O   LIG    1       -1.104   4.225   0.011  0.00  0.00    -0.243 OA
BRANCH  22  24
ATOM     24  OXT LIG    1       -2.245   3.104  -1.545  0.00  0.00    -0.476 OA
ATOM     25  HXT LIG    1       -2.558   4.030  -1.626  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH   5  22
TORSDOF 3