REMARK  Name = BDB029532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.908  -0.972  -0.895  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -4.897  -0.526  -0.387  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.617  -0.809  -0.797  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -3.449  -1.440  -1.570  0.00  0.00    +0.151 HD
ATOM      5  C   LIG    1       -2.608  -0.157   0.020  0.00  0.00    +0.115 C 
ATOM      6  C   LIG    1       -1.824   0.889  -0.774  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -0.465   0.351  -1.207  0.00  0.00    +0.107 C 
ATOM      8  N   LIG    1        0.315  -0.085  -0.045  0.00  0.00    -0.330 N 
ATOM      9  C   LIG    1       -0.400  -0.556   1.146  0.00  0.00    +0.107 C 
ATOM     10  C   LIG    1       -1.733  -1.179   0.743  0.00  0.00    +0.054 C 
ATOM     11  C   LIG    1       -3.540   0.544   1.028  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -3.189   1.200   1.997  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -4.832   0.309   0.673  0.00  0.00    -0.238 N 
ATOM     14  H   LIG    1       -5.636   0.631   1.184  0.00  0.00    +0.159 HD
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        1.701  -0.005  -0.053  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        2.435  -0.020  -1.253  0.00  0.00    +0.025 A 
ATOM     17  C   LIG    1        3.834   0.057  -1.274  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        4.534   0.153  -0.071  0.00  0.00    +0.126 A 
ATOM     19  C   LIG    1        3.844   0.171   1.141  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        2.444   0.091   1.138  0.00  0.00    +0.025 A 
BRANCH  18  21
ATOM     21  N   LIG    1        5.999   0.235  -0.081  0.00  0.00    +0.056 N 
ATOM     22  O   LIG    1        6.581   0.305   1.011  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1        6.570   0.228  -1.181  0.00  0.00    -0.126 OA
ENDBRANCH  18  21
ENDBRANCH   8  15
TORSDOF 2