REMARK  Name = BDB054095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.177   0.711  -0.035  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.200  -0.073  -0.622  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.521  -0.807  -1.240  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.985   1.374   0.983  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.098  -0.272   0.025  0.00  0.00    +0.087 C 
ATOM      6  C   LIG    1        2.163  -0.664  -1.031  0.00  0.00    +0.106 C 
ATOM      7  N   LIG    1        3.307  -1.347  -0.417  0.00  0.00    -0.300 NA
ATOM      8  C   LIG    1        2.913  -2.637   0.176  0.00  0.00    +0.084 C 
ATOM      9  C   LIG    1        1.459  -2.682   0.669  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.994  -1.315   1.154  0.00  0.00    +0.025 C 
BRANCH   7  11
ATOM     11  C   LIG    1        4.427  -1.484  -1.370  0.00  0.00    +0.090 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.761  -1.906  -0.732  0.00  0.00    +0.071 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.456  -0.773  -0.019  0.00  0.00    +0.042 A 
ATOM     14  N   LIG    1        7.493  -0.187  -0.668  0.00  0.00    -0.260 NA
ATOM     15  C   LIG    1        8.120   0.833  -0.042  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        7.764   1.307   1.209  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        6.699   0.699   1.860  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        6.034  -0.356   1.242  0.00  0.00    +0.023 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  19
ATOM     19  C   LIG    1       -2.532   0.705  -0.784  0.00  0.00    +0.164 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.013  -0.493   0.794  0.00  0.00    +0.230 C 
ATOM     21  N   LIG    1       -3.567   0.690   0.241  0.00  0.00    -0.302 N 
ATOM     22  H   LIG    1       -3.649   1.495   0.858  0.00  0.00    +0.150 HD
ATOM     23  O   LIG    1       -3.735  -1.594   0.325  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1       -4.817  -0.300   2.102  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1       -5.638  -1.537   2.454  0.00  0.00    +0.034 C 
BRANCH  24  27
ATOM     26  C   LIG    1       -6.726   0.940   1.157  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -5.599   0.964   2.085  0.00  0.00    -0.309 NA
ATOM     28  H   LIG    1       -5.962   1.128   3.025  0.00  0.00    +0.122 HD
ENDBRANCH  24  27
ENDBRANCH  20  24
ENDBRANCH  19  21
BRANCH  19  29
ATOM     29  C   LIG    1       -2.690   1.890  -1.785  0.00  0.00    -0.011 C 
ATOM     30  C   LIG    1       -4.065   1.788  -2.481  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1       -1.605   1.817  -2.878  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -2.598   3.265  -1.096  0.00  0.00    +0.013 C 
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 9