REMARK  Name = BDB055205
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.100   1.322  -0.842  0.00  0.00    +0.246 C 
ATOM      2  N   LIG    1        0.721   0.000  -0.943  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        1.456  -0.647  -1.194  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.300   2.249  -0.924  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        5.995   0.833   0.203  0.00  0.00    +0.144 A 
ATOM      6  C   LIG    1        4.770   1.353  -0.245  0.00  0.00    +0.089 A 
ATOM      7  C   LIG    1        3.546   0.697  -0.101  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        2.536   1.534  -0.694  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1        3.182   2.681  -1.125  0.00  0.00    +0.096 A 
ATOM     10  C   LIG    1        3.542  -0.547   0.566  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.747  -1.090   1.023  0.00  0.00    +0.004 A 
ATOM     12  N   LIG    1        4.516   2.553  -0.869  0.00  0.00    -0.357 N 
ATOM     13  H   LIG    1        5.233   3.235  -1.080  0.00  0.00    +0.165 HD
ATOM     14  C   LIG    1        5.953  -0.413   0.837  0.00  0.00    +0.048 A 
BRANCH   5  16
ATOM     15  C   LIG    1        8.341   1.077   0.480  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        7.111   1.589  -0.018  0.00  0.00    -0.493 OA
ENDBRANCH   5  16
ENDBRANCH   1   8
BRANCH   2  17
ATOM     17  C   LIG    1       -0.644  -0.355  -1.288  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1       -1.719   0.119  -0.282  0.00  0.00    +0.127 C 
ATOM     19  N   LIG    1       -2.761  -0.915  -0.342  0.00  0.00    -0.328 N 
ATOM     20  C   LIG    1       -2.362  -2.012  -1.213  0.00  0.00    +0.107 C 
ATOM     21  C   LIG    1       -0.848  -1.866  -1.311  0.00  0.00    +0.042 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -4.043  -0.722   0.122  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -4.375   0.364   0.946  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.676   0.565   1.430  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -6.700  -0.321   1.097  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1       -8.084  -0.130   1.638  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -6.390  -1.422   0.300  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.085  -1.612  -0.177  0.00  0.00    +0.023 A 
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 4