REMARK  Name = BDB027700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.272  -1.357  -0.284  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -3.208  -2.406  -0.290  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -4.544  -2.024  -0.154  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -5.476  -3.052  -0.150  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -5.206  -4.378  -0.272  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -3.913  -4.711  -0.417  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -4.930  -0.747  -0.036  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -3.968   0.187  -0.063  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -2.892  -3.779  -0.433  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -2.656  -0.078  -0.185  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -4.377   1.599   0.055  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -3.434   2.639   0.078  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -3.866   3.951   0.191  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -5.162   4.308   0.283  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -6.065   3.308   0.262  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -5.728   1.967   0.152  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.907  -1.667  -0.398  0.00  0.00    -0.322 N 
ATOM     18  H   LIG    1       -0.682  -2.328   0.346  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1        0.276   0.165   0.798  0.00  0.00    +0.033 C 
ATOM     20  C   LIG    1        0.158  -0.636  -0.508  0.00  0.00    +0.043 C 
ATOM     21  C   LIG    1       -0.080   0.290  -1.716  0.00  0.00    +0.033 C 
BRANCH  20  22
ATOM     22  C   LIG    1        1.487  -1.435  -0.767  0.00  0.00    +0.132 C 
BRANCH  22  23
ATOM     23  N   LIG    1        2.685  -0.634  -0.906  0.00  0.00    -0.279 N 
ATOM     24  H   LIG    1        2.917  -0.202  -1.790  0.00  0.00    +0.152 HD
ATOM     25  C   LIG    1        3.538  -0.380   0.124  0.00  0.00    +0.401 C 
ATOM     26  O   LIG    1        3.404  -0.804   1.260  0.00  0.00    -0.226 OA
BRANCH  25  27
ATOM     27  O   LIG    1        4.531   0.417  -0.326  0.00  0.00    -0.445 OA
BRANCH  27  28
ATOM     28  C   LIG    1        5.582   0.865   0.569  0.00  0.00    +0.107 C 
ATOM     29  C   LIG    1        5.017   1.733   1.700  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        6.496   1.736  -0.307  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        6.399  -0.316   1.106  0.00  0.00    +0.055 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 7