REMARK  Name = BDB005551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.517   0.548  -0.219  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.763   0.003   0.122  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -2.961   0.533  -0.383  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -2.877   1.655  -1.219  0.00  0.00    +0.051 A 
ATOM      5  N   LIG    1       -4.045   2.251  -1.701  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -4.000   3.069  -2.293  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.301   1.817  -1.389  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1       -5.401   0.613  -0.520  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -6.788   0.121  -0.201  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -6.804  -0.894   0.947  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -5.667  -1.898   0.798  0.00  0.00    +0.102 C 
ATOM     12  N   LIG    1       -4.400  -1.182   0.694  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -3.601  -1.801   0.589  0.00  0.00    +0.146 HD
ATOM     14  O   LIG    1       -6.297   2.390  -1.822  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -1.643   2.205  -1.570  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -4.300  -0.017  -0.063  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1       -0.463   1.647  -1.073  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  18
ATOM     18  O   LIG    1        0.546  -0.092   0.351  0.00  0.00    -0.489 OA
BRANCH  18  22
ATOM     19  N   LIG    1        4.279  -1.346  -0.137  0.00  0.00    -0.302 NA
ATOM     20  C   LIG    1        3.432  -1.379   1.051  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        2.736  -0.048   1.316  0.00  0.00    +0.060 C 
ATOM     22  C   LIG    1        1.877   0.393   0.120  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1        2.408  -0.167  -1.207  0.00  0.00    +0.060 C 
ATOM     24  C   LIG    1        3.918  -0.376  -1.162  0.00  0.00    +0.088 C 
BRANCH  19  25
ATOM     25  C   LIG    1        5.707  -1.557   0.072  0.00  0.00    +0.084 C 
BRANCH  25  27
ATOM     26  C   LIG    1        6.597   0.812   0.573  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        6.455  -0.627   1.040  0.00  0.00    +0.012 C 
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4