REMARK  Name = BDB012859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.562  -0.327   0.817  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.503   0.455   0.382  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.862   0.080   0.726  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.741   1.113   0.010  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.910   1.445  -1.228  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.516   1.439  -0.693  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.362  -1.362   1.449  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -5.058   0.287  -0.021  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -4.628   1.544   0.151  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -3.345   1.400   0.514  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -2.827   2.232   0.776  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.895   0.111   0.491  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -4.014  -0.643   0.197  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -6.594  -0.676  -1.753  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.488   0.020  -0.395  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -7.209  -0.793   0.682  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        3.069   0.636  -0.318  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        3.191   0.098  -1.164  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        4.029   0.528   0.668  0.00  0.00    +0.247 C 
ATOM     20  O   LIG    1        3.835   0.913   1.817  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        5.275  -0.094   0.257  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1        6.306  -0.456   1.105  0.00  0.00    +0.121 A 
ATOM     23  N   LIG    1        7.282  -1.001   0.327  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        8.552  -1.527   0.765  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        6.970  -1.020  -0.981  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        5.757  -0.462  -1.020  0.00  0.00    +0.147 A 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4