REMARK  Name = BDB064245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.054  -0.233   0.662  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1        1.197  -0.684   0.040  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1        1.168  -1.486  -0.582  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        0.050   0.710   1.442  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM      5  C   LIG    1       -4.367   2.666  -0.029  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -3.926   1.257  -0.046  0.00  0.00    +0.103 A 
ATOM      7  O   LIG    1       -2.604   1.041   0.196  0.00  0.00    -0.459 OA
ATOM      8  C   LIG    1       -2.394  -0.306   0.152  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1       -3.590  -0.959  -0.140  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -3.589  -2.362  -0.248  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -2.387  -3.057  -0.058  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -1.203  -2.376   0.233  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -1.181  -0.974   0.340  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1       -4.573   0.060  -0.260  0.00  0.00    +0.053 A 
ENDBRANCH   1  13
BRANCH   2  15
ATOM     15  C   LIG    1        2.501  -0.111   0.332  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1        3.586  -1.063  -0.180  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        3.360  -2.231  -0.496  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1        4.851  -0.536  -0.269  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1        5.557  -1.167  -0.626  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        5.152   0.795  -0.412  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1        6.249   1.150  -0.833  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        4.083   1.779   0.001  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1        2.693   1.253  -0.324  0.00  0.00    +0.041 C 
ENDBRANCH   2  15
TORSDOF 2