REMARK  Name = BDB053745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.041  -0.052   0.078  0.00  0.00    +0.043 A 
ATOM      2  N   LIG    1       -0.528   1.121  -0.498  0.00  0.00    -0.310 N 
ATOM      3  C   LIG    1        0.379   2.152  -0.269  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        1.489   1.594   0.360  0.00  0.00    +0.101 A 
ATOM      5  N   LIG    1        2.580   2.319   0.718  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1        2.535   3.628   0.409  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        1.492   4.260  -0.242  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        0.377   3.515  -0.610  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        1.256   0.207   0.531  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        2.145  -0.761   1.163  0.00  0.00    +0.251 C 
ATOM     11  N   LIG    1        3.417  -0.931   0.626  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        4.345  -1.828   1.311  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        5.808  -1.577   0.910  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        6.074  -1.651  -0.536  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        6.339  -2.602  -0.789  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.902  -1.259  -1.340  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        3.903  -0.332  -0.624  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        1.758  -1.437   2.116  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -1.734   1.271  -1.232  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -2.636   2.287  -0.894  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.814   2.436  -1.625  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.085   1.585  -2.696  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.179   0.581  -3.039  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.002   0.419  -2.307  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  C   LIG    1       -0.825  -1.341   0.214  0.00  0.00    +0.090 C 
BRANCH  25  28
ATOM     26  C   LIG    1       -1.491   0.140   2.809  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -2.545  -0.506   1.949  0.00  0.00    -0.044 A 
ATOM     28  C   LIG    1       -2.250  -1.232   0.762  0.00  0.00    -0.036 A 
ATOM     29  C   LIG    1       -3.310  -1.926   0.111  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1       -3.079  -2.861  -1.048  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -4.631  -1.763   0.557  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.905  -0.973   1.660  0.00  0.00    +0.124 A 
ATOM     33  F   LIG    1       -6.171  -0.828   2.073  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -3.881  -0.361   2.362  0.00  0.00    +0.042 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4