REMARK  Name = BDB028185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.058  -0.293  -0.565  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.957  -0.220   0.509  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.654   0.967   0.765  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.474   2.063  -0.075  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        3.236   3.296   0.179  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.098   3.264   1.248  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        4.633   4.105   1.439  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.276   2.223   2.105  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        3.104   4.286  -0.532  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        1.587   1.994  -1.156  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.593   1.132   1.903  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.876   0.818  -1.396  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1       -1.065  -1.637  -0.757  0.00  0.00    +0.077 A 
ATOM     14  N   LIG    1       -1.308  -2.976  -0.983  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -2.589  -3.646  -1.002  0.00  0.00    +0.173 C 
ATOM     16  N   LIG    1       -0.194  -3.704  -1.186  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        0.794  -2.820  -1.046  0.00  0.00    +0.143 A 
ATOM     18  C   LIG    1        0.318  -1.516  -0.794  0.00  0.00    +0.027 A 
BRANCH  13  22
ATOM     19  C   LIG    1       -4.877   1.038  -2.534  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -3.966   0.682  -1.395  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1       -2.958  -0.276  -1.568  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -2.113  -0.642  -0.505  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1       -2.289  -0.033   0.750  0.00  0.00    +0.061 A 
ATOM     24  C   LIG    1       -3.309   0.913   0.926  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -4.145   1.262  -0.137  0.00  0.00    +0.004 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -1.458  -0.356   1.876  0.00  0.00    +0.100 C 
ATOM     27  N   LIG    1       -0.794  -0.595   2.799  0.00  0.00    -0.191 NA
ENDBRANCH  23  26
ENDBRANCH  13  22
ENDBRANCH   1  18
BRANCH  11  28
ATOM     28  C   LIG    1        3.795  -0.012   2.892  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.716  -0.990   2.307  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1        4.918  -1.705   3.005  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1        5.607  -0.521   2.132  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 5