REMARK  Name = BDB009274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.697   1.158   2.131  0.00  0.00    +0.019 C 
ATOM      2  C   LIG    1        0.853   0.033   1.102  0.00  0.00    +0.067 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.569   0.590  -0.145  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        2.996   0.211  -0.406  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1        3.773  -0.615   0.582  0.00  0.00    +0.037 C 
ATOM      6  C   LIG    1        5.280  -0.639   0.310  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1        5.571  -0.806  -1.175  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1        4.946   0.333  -1.984  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1        3.543   0.659  -1.550  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        2.761   1.535  -2.457  0.00  0.00    +0.268 A 
ATOM     11  O   LIG    1        3.231   1.961  -3.507  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1        1.498   1.849  -2.040  0.00  0.00    -0.243 N 
ATOM     13  H   LIG    1        0.942   2.446  -2.643  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        0.887   1.381  -0.921  0.00  0.00    -0.175 NA
ENDBRANCH   2   3
BRANCH   2  15
ATOM     15  C   LIG    1       -0.441  -0.686   0.725  0.00  0.00    -0.037 A 
ATOM     16  C   LIG    1       -1.697  -0.046   0.748  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -2.881  -0.708   0.383  0.00  0.00    +0.072 A 
ATOM     18  C   LIG    1       -2.763  -2.045  -0.030  0.00  0.00    +0.145 A 
ATOM     19  F   LIG    1       -3.842  -2.766  -0.376  0.00  0.00    -0.204 F 
ATOM     20  C   LIG    1       -1.531  -2.696  -0.073  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1       -0.374  -2.020   0.301  0.00  0.00    +0.007 A 
BRANCH  17  22
ATOM     22  N   LIG    1       -4.141  -0.041   0.418  0.00  0.00    -0.269 N 
ATOM     23  C   LIG    1       -4.428   1.156   1.091  0.00  0.00    +0.220 C 
ATOM     24  O   LIG    1       -3.690   1.869   1.753  0.00  0.00    -0.275 OA
ATOM     25  C   LIG    1       -5.908   1.425   0.942  0.00  0.00    +0.098 C 
ATOM     26  C   LIG    1       -6.302   0.552  -0.232  0.00  0.00    +0.029 C 
ATOM     27  C   LIG    1       -5.344  -0.617  -0.136  0.00  0.00    +0.114 C 
ENDBRANCH  17  22
ENDBRANCH   2  15
TORSDOF 3