REMARK  Name = BDB054495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.206   2.795  -0.071  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1        0.608   1.636  -0.076  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        1.898   1.656   0.476  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        2.464   0.352   0.348  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        1.524  -0.452  -0.284  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        1.779  -1.810  -0.550  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1        3.010  -2.360  -0.172  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        3.963  -1.565   0.458  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        3.702  -0.214   0.722  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.394   2.846   1.026  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.564   3.944   0.987  0.00  0.00    +0.112 A 
ATOM     12  N   LIG    1        0.418   0.341  -0.546  0.00  0.00    -0.338 N 
ATOM     13  N   LIG    1        0.325   3.935   0.465  0.00  0.00    -0.258 NA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -2.344   4.187  -0.264  0.00  0.00    +0.010 C 
ATOM     15  C   LIG    1       -1.602   2.906  -0.632  0.00  0.00    +0.054 C 
ENDBRANCH   1  15
BRANCH   7  16
ATOM     16  O   LIG    1        3.149  -3.688  -0.479  0.00  0.00    -0.495 OA
ATOM     17  C   LIG    1        4.380  -4.305  -0.125  0.00  0.00    +0.277 C 
ENDBRANCH   7  16
BRANCH  12  18
ATOM     18  C   LIG    1       -0.759  -0.169  -1.237  0.00  0.00    +0.122 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.759  -0.812  -0.277  0.00  0.00    +0.023 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.032  -1.236  -1.009  0.00  0.00    +0.017 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.022  -1.903  -0.057  0.00  0.00    +0.078 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -5.223  -2.299  -0.781  0.00  0.00    -0.330 NA
ATOM     23  H   LIG    1       -5.881  -2.730  -0.133  0.00  0.00    +0.118 HD
ATOM     24  H   LIG    1       -5.692  -1.474  -1.153  0.00  0.00    +0.118 HD
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  12  18
TORSDOF 7