REMARK  Name = BDB051647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.600   2.724  -0.908  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.620   2.049  -0.620  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.690   0.565  -0.509  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.517  -0.197  -0.351  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -2.622  -1.585  -0.157  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -1.373  -2.382   0.094  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -0.364  -1.518   0.852  0.00  0.00    +0.113 C 
ATOM      8  N   LIG    1       -0.036  -0.300   0.104  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        1.257   0.140  -0.174  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1        1.450   1.126  -0.886  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.878  -2.204  -0.194  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -5.032  -1.444  -0.387  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.159   0.489  -0.446  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1       -1.288   1.888   0.194  0.00  0.00    +0.131 C 
ATOM     15  C   LIG    1       -4.941  -0.060  -0.533  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -2.403   2.630  -0.366  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -2.401   3.643  -0.349  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        2.411  -0.649   0.436  0.00  0.00    +0.132 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.768  -0.019   0.253  0.00  0.00    -0.021 A 
ATOM     20  C   LIG    1        4.400  -0.023  -0.988  0.00  0.00    +0.114 A 
ATOM     21  N   LIG    1        5.627   0.497  -1.217  0.00  0.00    -0.263 NA
ATOM     22  C   LIG    1        6.247   1.073  -0.167  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        5.702   1.144   1.104  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        4.444   0.588   1.315  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 2