REMARK  Name = BDB051727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.203  -1.726  -0.320  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1       -0.702  -0.776  -0.575  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1       -1.951  -1.028  -0.157  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -2.964  -0.020  -0.394  0.00  0.00    +0.091 A 
ATOM      5  N   LIG    1       -2.937   1.099  -1.171  0.00  0.00    -0.264 N 
ATOM      6  C   LIG    1       -1.849   1.578  -1.992  0.00  0.00    +0.173 C 
ATOM      7  N   LIG    1       -4.098   1.797  -1.138  0.00  0.00    -0.166 NA
ATOM      8  C   LIG    1       -4.895   1.092  -0.303  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1       -4.222  -0.058   0.176  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.622  -1.137   1.123  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.783  -2.422   0.899  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1       -2.342  -2.174   0.519  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1       -1.336  -3.084   0.716  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1       -0.066  -2.877   0.316  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -6.259   1.536   0.017  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -7.016   0.945   0.781  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -6.633   2.689  -0.614  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -5.955   3.151  -1.210  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -7.537   3.093  -0.433  0.00  0.00    +0.145 HD
ENDBRANCH   8  15
BRANCH   1  20
ATOM     20  N   LIG    1        1.524  -1.564  -0.708  0.00  0.00    -0.311 N 
ATOM     21  H   LIG    1        2.050  -2.264  -0.195  0.00  0.00    +0.149 HD
BRANCH  20  27
ATOM     22  C   LIG    1        7.093   0.528   0.651  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1        5.802   1.201   1.044  0.00  0.00    +0.212 C 
ATOM     24  N   LIG    1        4.636   0.721   0.461  0.00  0.00    -0.302 N 
ATOM     25  C   LIG    1        3.360   1.296   0.882  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1        2.229   0.285   0.766  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1        2.059  -0.205  -0.681  0.00  0.00    +0.076 C 
ATOM     28  C   LIG    1        3.380  -0.181  -1.470  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        4.597  -0.322  -0.565  0.00  0.00    +0.109 C 
ATOM     30  O   LIG    1        5.807   2.136   1.844  0.00  0.00    -0.276 OA
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 3