REMARK  Name = BDB046606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.964  -0.805  -0.573  0.00  0.00    +0.114 C 
ATOM      2  C   LIG    1       -1.674   0.033   0.521  0.00  0.00    +0.095 C 
ATOM      3  C   LIG    1       -3.178  -0.270   0.537  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -3.619  -1.582   0.035  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -4.975  -1.892   0.100  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -5.903  -0.887   0.634  0.00  0.00    +0.273 A 
ATOM      7  N   LIG    1       -5.336   0.289   1.061  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1       -5.955   0.993   1.452  0.00  0.00    +0.192 HD
ATOM      9  O   LIG    1       -7.108  -1.102   0.689  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -5.434  -3.140  -0.319  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1       -4.511  -4.067  -0.780  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -4.931  -5.279  -1.164  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.152  -3.765  -0.843  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1       -2.690  -2.498  -0.470  0.00  0.00    +0.040 A 
ATOM     15  N   LIG    1       -4.010   0.598   1.038  0.00  0.00    -0.175 NA
ATOM     16  N   LIG    1       -1.317  -2.231  -0.472  0.00  0.00    -0.335 N 
ATOM     17  H   LIG    1       -0.794  -2.801  -1.136  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1       -1.371   1.525   0.354  0.00  0.00    -0.036 A 
ATOM     19  C   LIG    1       -0.490   2.158   1.248  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -0.167   3.507   1.089  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -0.722   4.225   0.039  0.00  0.00    +0.123 A 
ATOM     22  F   LIG    1       -0.410   5.519  -0.114  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -1.594   3.622  -0.858  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -1.917   2.273  -0.704  0.00  0.00    +0.007 A 
ENDBRANCH   2  18
BRANCH   1  28
ATOM     25  C   LIG    1        3.362  -0.418  -0.335  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1        2.662  -1.155   0.630  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        1.275  -1.293   0.551  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        0.555  -0.699  -0.498  0.00  0.00    -0.026 A 
ATOM     29  C   LIG    1        1.259   0.030  -1.467  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        2.648   0.168  -1.387  0.00  0.00    +0.005 A 
BRANCH  25  31
ATOM     31  C   LIG    1        4.867  -0.268  -0.242  0.00  0.00    +0.119 C 
BRANCH  31  33
ATOM     32  C   LIG    1        4.920   1.772   1.076  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1        5.316   0.362   1.012  0.00  0.00    -0.304 NA
ATOM     34  C   LIG    1        6.770   0.249   1.136  0.00  0.00    +0.104 C 
ENDBRANCH  31  33
ENDBRANCH  25  31
ENDBRANCH   1  28
TORSDOF 4