REMARK  Name = BDB014944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.812   4.671   0.824  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.380   4.296   0.542  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.109   2.960   0.275  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.713   2.650  -0.090  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.452   1.190   0.011  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.249   0.447  -0.108  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.491  -0.859   0.043  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.811  -0.959   0.279  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.435   0.250   0.239  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.871   0.561   0.429  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.147   1.979  -0.114  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.500   5.157   0.563  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -3.401  -2.251   0.525  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -3.355  -3.191  -0.665  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -3.520  -4.518  -0.134  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -3.248  -4.474   1.276  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -2.728  -3.088   1.596  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1       -0.057   1.042  -0.349  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1       -0.028   2.056  -0.415  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.245   0.512  -0.515  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        2.305   1.406  -0.748  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        2.044   2.723  -0.806  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        3.619   0.978  -0.925  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        3.913  -0.384  -0.868  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1        2.873  -1.294  -0.646  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        1.555  -0.849  -0.469  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.267  -0.862  -1.061  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1        6.388  -0.429  -0.370  0.00  0.00    +0.044 A 
ATOM     29  C   LIG    1        6.560   0.568   0.719  0.00  0.00    +0.066 C 
ATOM     30  N   LIG    1        7.436  -1.149  -0.893  0.00  0.00    -0.271 N 
ATOM     31  C   LIG    1        8.832  -1.056  -0.530  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        7.066  -2.041  -1.830  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        5.748  -1.864  -1.931  0.00  0.00    +0.143 A 
ENDBRANCH  24  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4