REMARK  Name = BDB052302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.292  -0.442   0.946  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -0.735  -1.717   0.774  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        0.628  -1.876   0.502  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        1.459  -0.752   0.403  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        0.907   0.525   0.582  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -0.457   0.677   0.852  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.851  -0.884   0.125  0.00  0.00    -0.239 N 
ATOM      8  N   LIG    1        3.644   0.225   0.036  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        4.887  -0.225  -0.231  0.00  0.00    +0.105 A 
ATOM     10  C   LIG    1        4.850  -1.661  -0.308  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        5.908  -2.525  -0.565  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        7.111  -1.817  -0.757  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        7.211  -0.393  -0.693  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        6.107   0.458  -0.428  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        3.561  -2.047  -0.081  0.00  0.00    +0.123 A 
BRANCH  14  16
ATOM     16  C   LIG    1        6.265   1.921  -0.373  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        7.355   2.450  -0.553  0.00  0.00    -0.270 OA
ATOM     18  N   LIG    1        5.150   2.662  -0.113  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        4.247   2.217   0.036  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        5.228   3.667  -0.069  0.00  0.00    +0.145 HD
ENDBRANCH  14  16
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.768  -0.281   1.254  0.00  0.00    +0.119 C 
BRANCH  21  26
ATOM     22  C   LIG    1       -6.342   2.337  -0.642  0.00  0.00    +0.105 C 
ATOM     23  N   LIG    1       -5.718   1.018  -0.644  0.00  0.00    -0.303 NA
ATOM     24  C   LIG    1       -5.774   0.400   0.692  0.00  0.00    +0.099 C 
ATOM     25  C   LIG    1       -5.046  -0.965   0.739  0.00  0.00    +0.100 C 
ATOM     26  N   LIG    1       -3.643  -0.940   0.270  0.00  0.00    -0.296 NA
ATOM     27  C   LIG    1       -3.609  -0.280  -1.055  0.00  0.00    +0.100 C 
ATOM     28  C   LIG    1       -4.325   1.090  -1.122  0.00  0.00    +0.099 C 
ENDBRANCH  21  26
ENDBRANCH   1  21
TORSDOF 4