REMARK  Name = BDB045898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.440   0.949  -0.714  0.00  0.00    -0.045 A 
ATOM      2  C   LIG    1       -2.276   1.212   0.019  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -1.056   0.632  -0.345  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.984  -0.219  -1.447  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -2.143  -0.481  -2.181  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -3.362   0.096  -1.820  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.758   1.567  -0.314  0.00  0.00    +0.069 C 
BRANCH   7   8
ATOM      8  CA  LIG    1       -5.732   0.581   0.343  0.00  0.00    +0.186 C 
BRANCH   8  11
ATOM      9  C   LIG    1       -9.424   1.224   0.954  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -8.192   0.468   0.533  0.00  0.00    +0.211 C 
ATOM     11  N   LIG    1       -7.041   1.222   0.538  0.00  0.00    -0.302 N 
ATOM     12  H   LIG    1       -7.044   2.039   1.139  0.00  0.00    +0.150 HD
ATOM     13  O   LIG    1       -8.227  -0.718   0.225  0.00  0.00    -0.276 OA
ENDBRANCH   8  11
BRANCH   8  14
ATOM     14  C   LIG    1       -5.221   0.186   1.726  0.00  0.00    +0.326 C 
ATOM     15  O   LIG    1       -5.339   0.852   2.746  0.00  0.00    -0.249 OA
BRANCH  14  16
ATOM     16  OXT LIG    1       -4.583  -0.999   1.751  0.00  0.00    -0.479 OA
ATOM     17  HXT LIG    1       -4.329  -1.131   2.687  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   8  14
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  O   LIG    1        0.139  -0.848  -1.909  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.343  -0.658  -1.161  0.00  0.00    +0.235 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.450  -1.464  -1.834  0.00  0.00    +0.100 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.718  -1.431  -1.064  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1        4.396  -2.458  -0.442  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        4.173  -3.906  -0.290  0.00  0.00    +0.088 C 
ATOM     24  O   LIG    1        5.514  -1.931   0.138  0.00  0.00    -0.440 OA
ATOM     25  C   LIG    1        5.460  -0.595  -0.165  0.00  0.00    +0.228 A 
ATOM     26  N   LIG    1        4.402  -0.251  -0.877  0.00  0.00    -0.214 NA
BRANCH  25  27
ATOM     27  C   LIG    1        6.549   0.241   0.333  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        6.557   1.615   0.043  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        7.585   2.440   0.507  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        8.620   1.902   1.268  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.628   0.540   1.565  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        7.599  -0.284   1.101  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 10