REMARK  Name = BDB061388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.553   5.266   1.058  0.00  0.00    +0.088 C 
ATOM      2  C   LIG    1       -0.948   3.901   0.582  0.00  0.00    +0.132 A 
ATOM      3  N   LIG    1       -2.243   3.725   0.253  0.00  0.00    -0.215 NA
ATOM      4  C   LIG    1       -2.505   2.469  -0.133  0.00  0.00    +0.146 A 
ATOM      5  C   LIG    1       -1.612   1.413  -0.212  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1       -2.352   0.274  -0.662  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -3.662   0.686  -0.840  0.00  0.00    +0.093 A 
ATOM      8  C   LIG    1       -0.301   1.709   0.167  0.00  0.00    +0.228 A 
ATOM      9  N   LIG    1       -3.736   2.018  -0.520  0.00  0.00    -0.345 N 
ATOM     10  H   LIG    1       -4.561   2.599  -0.552  0.00  0.00    +0.167 HD
ATOM     11  N   LIG    1        0.022   2.961   0.565  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -1.917  -1.093  -0.904  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1       -2.619  -2.171  -0.360  0.00  0.00    +0.051 A 
ATOM     14  C   LIG    1       -2.161  -3.458  -0.596  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1       -1.061  -3.723  -1.317  0.00  0.00    -0.241 NA
ATOM     16  C   LIG    1       -0.394  -2.668  -1.835  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1       -0.781  -1.351  -1.667  0.00  0.00    +0.028 A 
BRANCH  14  18
ATOM     18  N   LIG    1       -2.822  -4.557  -0.051  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -2.335  -5.384  -0.389  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1       -3.802  -4.566  -0.308  0.00  0.00    +0.144 HD
ENDBRANCH  14  18
ENDBRANCH   6  12
BRANCH   8  21
ATOM     21  O   LIG    1        0.667   0.732   0.111  0.00  0.00    -0.471 OA
BRANCH  21  22
ATOM     22  C   LIG    1        1.894   1.101   0.735  0.00  0.00    +0.266 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.847  -0.073   0.660  0.00  0.00    -0.010 A 
ATOM     24  C   LIG    1        4.208   0.137   0.395  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        5.096  -0.940   0.347  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.635  -2.236   0.572  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.288  -2.457   0.850  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        2.400  -1.382   0.901  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 5