REMARK  Name = BDB019121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.569   1.631  -0.360  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1       -0.943   0.403  -0.178  0.00  0.00    +0.092 A 
ATOM      3  N   LIG    1        0.375   0.704   0.124  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        1.370  -0.271   0.357  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        1.052  -1.535   0.278  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1       -0.260  -1.855   0.008  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        0.489   2.067   0.126  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1       -1.270  -0.984  -0.212  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1       -0.653   2.655  -0.137  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.603  -1.577  -0.419  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.525  -1.761   0.621  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -3.231  -1.316   2.025  0.00  0.00    +0.066 C 
ATOM     13  N   LIG    1       -4.736  -2.352   0.435  0.00  0.00    -0.256 NA
ATOM     14  C   LIG    1       -5.064  -2.759  -0.813  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -6.414  -3.385  -0.998  0.00  0.00    +0.065 C 
ATOM     16  C   LIG    1       -4.209  -2.613  -1.898  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -2.965  -2.022  -1.696  0.00  0.00    +0.012 A 
ENDBRANCH   8  10
BRANCH   1  18
ATOM     18  C   LIG    1       -2.958   1.906  -0.740  0.00  0.00    +0.360 C 
ATOM     19  O   LIG    1       -3.725   1.073  -1.205  0.00  0.00    -0.243 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -3.300   3.212  -0.521  0.00  0.00    -0.460 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -5.579   3.271   0.294  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1       -4.643   3.575  -0.861  0.00  0.00    +0.229 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH   1  18
BRANCH   4  23
ATOM     23  N   LIG    1        2.655   0.138   0.653  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        2.762   1.046   1.089  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.652  -0.818   1.106  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.002  -0.162   1.109  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        5.684   0.140  -0.066  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        5.276  -0.042  -1.480  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        6.619   0.226  -2.161  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        7.446   1.018  -1.277  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        6.919   0.776  -0.036  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        7.530   1.142   1.146  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        6.869   0.844   2.338  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        5.623   0.201   2.311  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1        5.010  -0.050   3.476  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   4  23
TORSDOF 7