REMARK  Name = BDB056162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.689  -0.159   1.263  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -1.184  -1.269   2.096  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.076  -0.839   2.887  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        1.173  -0.273   2.068  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.607   0.824   1.246  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -0.645   0.462   0.412  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.466  -0.542  -0.638  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -4.847   0.702  -0.518  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.601   0.804   0.114  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -2.930  -0.321   0.628  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -3.576  -1.559   0.497  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -4.821  -1.674  -0.137  0.00  0.00    +0.015 A 
BRANCH   7  15
ATOM     13  N   LIG    1       -7.636   0.381  -1.259  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1       -7.448   1.085  -0.558  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1       -6.789  -0.710  -1.302  0.00  0.00    +0.244 C 
ATOM     16  O   LIG    1       -7.088  -1.781  -1.817  0.00  0.00    -0.270 OA
BRANCH  13  18
ATOM     17  C   LIG    1       -9.631   1.625  -1.940  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -8.998   0.263  -1.735  0.00  0.00    +0.101 C 
ENDBRANCH  13  18
ENDBRANCH   7  15
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  C   LIG    1        1.820  -1.314   1.254  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.093  -0.839   0.583  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1        4.129  -0.277   1.343  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1        5.300   0.153   0.722  0.00  0.00    +0.076 A 
ATOM     23  N   LIG    1        6.331   0.682   1.500  0.00  0.00    -0.280 N 
ATOM     24  H   LIG    1        6.286   0.661   2.510  0.00  0.00    +0.155 HD
ATOM     25  C   LIG    1        7.474   1.178   0.933  0.00  0.00    +0.258 C 
ATOM     26  C   LIG    1        7.406   1.325  -0.596  0.00  0.00    +0.256 C 
ATOM     27  O   LIG    1        6.622   0.369  -1.304  0.00  0.00    -0.478 OA
ATOM     28  C   LIG    1        8.807   1.300  -1.194  0.00  0.00    +0.062 C 
ATOM     29  O   LIG    1        8.418   1.549   1.626  0.00  0.00    -0.271 OA
ATOM     30  C   LIG    1        5.461   0.018  -0.661  0.00  0.00    +0.146 A 
ATOM     31  C   LIG    1        4.446  -0.560  -1.436  0.00  0.00    -0.007 A 
ATOM     32  C   LIG    1        4.616  -0.741  -2.917  0.00  0.00    +0.047 C 
ATOM     33  C   LIG    1        3.264  -0.981  -0.804  0.00  0.00    +0.012 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5