REMARK  Name = BDB056412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.673  -1.680   0.519  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1        0.672  -1.357   0.721  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1        1.523  -2.064   1.554  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1        2.779  -1.528   1.556  0.00  0.00    -0.208 NA
ATOM      5  C   LIG    1        2.718  -0.494   0.740  0.00  0.00    +0.144 A 
ATOM      6  N   LIG    1        1.134  -3.145   2.262  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -0.168  -3.472   2.084  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1        1.461  -0.358   0.216  0.00  0.00    -0.335 N 
ATOM      9  H   LIG    1        1.143   0.349  -0.428  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1       -1.082  -2.808   1.260  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1       -2.692  -3.437   1.194  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.923   0.431   0.429  0.00  0.00    +0.058 A 
ATOM     13  C   LIG    1        4.034   1.567  -0.409  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        3.002   2.216  -1.251  0.00  0.00    +0.068 C 
ATOM     15  N   LIG    1        5.277   2.070  -0.385  0.00  0.00    -0.176 NA
ATOM     16  N   LIG    1        5.942   1.260   0.462  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1        7.336   1.510   0.735  0.00  0.00    +0.172 C 
ATOM     18  C   LIG    1        5.174   0.262   0.974  0.00  0.00    +0.119 A 
ENDBRANCH   5  12
BRANCH   1  21
ATOM     19  C   LIG    1       -3.746  -0.417  -0.754  0.00  0.00    +0.092 C 
ATOM     20  C   LIG    1       -2.586  -0.192   0.240  0.00  0.00    +0.127 C 
ATOM     21  N   LIG    1       -1.420  -0.894  -0.348  0.00  0.00    -0.325 N 
ATOM     22  C   LIG    1       -1.836  -1.552  -1.596  0.00  0.00    +0.107 C 
ATOM     23  C   LIG    1       -3.027  -0.725  -2.062  0.00  0.00    +0.042 C 
BRANCH  19  26
ATOM     24  C   LIG    1       -6.328   2.271  -0.085  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1       -5.499   1.040   0.161  0.00  0.00    +0.210 C 
ATOM     26  N   LIG    1       -4.658   0.707  -0.877  0.00  0.00    -0.311 N 
ATOM     27  H   LIG    1       -4.500   1.388  -1.609  0.00  0.00    +0.149 HD
ATOM     28  O   LIG    1       -5.558   0.406   1.208  0.00  0.00    -0.276 OA
ENDBRANCH  19  26
ENDBRANCH   1  21
TORSDOF 3