REMARK  Name = BDB017050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.784   3.663  -0.567  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.050   2.613   0.097  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        0.335   1.402  -0.439  0.00  0.00    +0.084 A 
ATOM      4  C   LIG    1        1.011   0.772   0.601  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        1.049   1.586   1.721  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        0.402   2.675   1.383  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.052   0.983  -1.813  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -1.248   0.666  -2.237  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1       -1.506   0.298  -3.562  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -0.457   0.204  -4.475  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        0.844   0.496  -4.066  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        1.088   0.884  -2.748  0.00  0.00    +0.136 A 
ATOM     13  F   LIG    1        2.349   1.188  -2.401  0.00  0.00    -0.205 F 
BRANCH   8  14
ATOM     14  O   LIG    1       -2.318   0.780  -1.384  0.00  0.00    -0.491 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.543  -0.464  -0.707  0.00  0.00    +0.232 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.530  -0.216   0.392  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -3.067   0.293   1.733  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -3.574  -1.117   1.600  0.00  0.00    +0.007 C 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1        1.608  -0.562   0.588  0.00  0.00    +0.092 A 
ATOM     20  N   LIG    1        1.206  -1.428  -0.379  0.00  0.00    -0.253 NA
ATOM     21  C   LIG    1        1.751  -2.662  -0.385  0.00  0.00    +0.112 A 
ATOM     22  C   LIG    1        2.681  -3.091   0.539  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        3.076  -2.196   1.532  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1        2.533  -0.912   1.563  0.00  0.00    +0.045 A 
BRANCH  23  25
ATOM     25  C   LIG    1        4.071  -2.654   2.527  0.00  0.00    +0.337 C 
ATOM     26  O   LIG    1        4.574  -3.761   2.566  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1        4.389  -1.706   3.424  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1        5.044  -2.137   4.011  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH   4  19
TORSDOF 7