REMARK  Name = BDB007469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.858  -1.106   1.465  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        0.884  -0.186   0.664  0.00  0.00    +0.281 A 
ATOM      3  N   LIG    1       -0.165   0.440   0.000  0.00  0.00    -0.201 N 
ATOM      4  N   LIG    1        0.339   1.470  -0.798  0.00  0.00    -0.295 N 
ATOM      5  H   LIG    1       -0.085   1.507  -1.727  0.00  0.00    +0.187 HD
ATOM      6  C   LIG    1        1.703   1.375  -0.728  0.00  0.00    +0.116 A 
ATOM      7  C   LIG    1        2.145   0.467   0.159  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.539   0.154  -0.029  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1       -2.299   0.853  -0.914  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -3.626   0.585  -0.961  0.00  0.00    +0.119 A 
ATOM     11  C   LIG    1       -4.264  -0.362  -0.170  0.00  0.00    -0.004 A 
ATOM     12  C   LIG    1       -3.462  -1.082   0.716  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -2.092  -0.823   0.791  0.00  0.00    +0.048 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -5.730  -0.655  -0.284  0.00  0.00    +0.192 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -6.427   0.414  -0.907  0.00  0.00    -0.390 OA
ATOM     16  H   LIG    1       -7.370   0.176  -0.900  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   3   8
BRANCH   7  17
ATOM     17  C   LIG    1        3.525   0.118   0.487  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        3.877  -1.134   0.989  0.00  0.00    +0.119 A 
ATOM     19  N   LIG    1        5.143  -1.513   1.304  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        6.114  -0.596   1.126  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        5.881   0.679   0.646  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.571   1.036   0.325  0.00  0.00    +0.012 A 
ENDBRANCH   7  17
TORSDOF 4