REMARK  Name = BDB056489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.978   1.192   1.849  0.00  0.00    +0.324 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1       -0.301   0.698   1.116  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        0.054   0.934   0.194  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1        0.591   0.617   2.160  0.00  0.00    +0.251 C 
ATOM      5  O   LIG    1        0.302   0.178   3.270  0.00  0.00    -0.272 OA
BRANCH   2   7
ATOM      6  C   LIG    1       -1.595  -1.396   1.046  0.00  0.00    +0.033 C 
ATOM      7  C   LIG    1       -1.635   0.129   1.186  0.00  0.00    +0.100 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -2.519   0.810   0.156  0.00  0.00    -0.027 A 
ATOM      9  C   LIG    1       -3.336   1.883   0.551  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -4.138   2.551  -0.377  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.130   2.162  -1.714  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.317   1.109  -2.125  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.514   0.441  -1.198  0.00  0.00    +0.005 A 
ENDBRANCH   7   8
ENDBRANCH   2   7
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  O   LIG    1        2.491   0.912   0.546  0.00  0.00    -0.482 OA
BRANCH  14  15
ATOM     15  C   LIG    1        2.767  -0.416   0.326  0.00  0.00    +0.133 A 
ATOM     16  C   LIG    1        2.196  -1.077  -0.777  0.00  0.00    +0.078 A 
ATOM     17  C   LIG    1        2.491  -2.434  -0.988  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        3.364  -3.114  -0.138  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        3.957  -2.444   0.928  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        3.666  -1.098   1.156  0.00  0.00    +0.046 A 
BRANCH  16  21
ATOM     21  C   LIG    1        1.253  -0.438  -1.742  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1        0.592  -1.098  -2.535  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1        1.140   0.924  -1.726  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        1.848   1.486  -1.265  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        0.623   1.345  -2.489  0.00  0.00    +0.145 HD
ENDBRANCH  16  21
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6