REMARK  Name = BDB027996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.941   0.850  -0.036  0.00  0.00    +0.120 A 
ATOM      2  N   LIG    1       -1.313   0.411  -1.256  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1       -0.359   0.248  -2.201  0.00  0.00    +0.113 A 
ATOM      4  C   LIG    1        0.979   0.502  -1.991  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        1.346   0.939  -0.725  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1        0.383   1.137   0.261  0.00  0.00    +0.056 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        2.753   1.251  -0.411  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1        3.694   0.252  -0.563  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1        5.090   0.502  -0.255  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1        5.795  -0.794  -0.622  0.00  0.00    +0.020 C 
ATOM     11  C   LIG    1        4.736  -1.847  -0.315  0.00  0.00    +0.020 C 
ATOM     12  C   LIG    1        3.444  -1.171  -0.756  0.00  0.00    +0.108 C 
ATOM     13  O   LIG    1        3.021   2.384  -0.020  0.00  0.00    -0.270 OA
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  N   LIG    1       -1.896   1.020   0.983  0.00  0.00    -0.318 N 
ATOM     15  H   LIG    1       -1.840   1.982   1.306  0.00  0.00    +0.148 HD
BRANCH  14  22
ATOM     16  O   LIG    1       -6.846  -1.239   1.509  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -5.816  -0.666   1.166  0.00  0.00    +0.219 C 
ATOM     18  N   LIG    1       -4.749  -1.363   0.665  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -4.848  -2.368   0.721  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -3.439  -0.932   0.676  0.00  0.00    +0.239 C 
ATOM     21  O   LIG    1       -2.537  -1.765   0.750  0.00  0.00    -0.273 OA
ATOM     22  C   LIG    1       -3.258   0.604   0.620  0.00  0.00    +0.159 C 
ATOM     23  C   LIG    1       -4.241   1.221   1.619  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -5.663   0.834   1.245  0.00  0.00    +0.098 C 
ENDBRANCH  14  22
ENDBRANCH   1  14
TORSDOF 3