REMARK  Name = BDB052290
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.048  -0.274  -0.700  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        3.765  -0.483  -0.148  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1        3.606  -1.371   0.973  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        2.280  -1.384   1.296  0.00  0.00    +0.123 A 
ATOM      5  N   LIG    1        1.667  -0.534   0.400  0.00  0.00    -0.239 N 
ATOM      6  C   LIG    1        4.593  -2.096   1.630  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        5.861  -1.868   1.058  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        2.558   0.016  -0.478  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        6.083  -0.999  -0.055  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        0.282  -0.206   0.320  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1       -0.647  -0.754   1.210  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -2.002  -0.414   1.105  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -2.465   0.463   0.110  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1       -1.519   1.021  -0.761  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -0.163   0.687  -0.664  0.00  0.00    +0.028 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -3.935   0.830   0.055  0.00  0.00    +0.084 C 
ATOM     17  N   LIG    1       -4.821  -0.338   0.242  0.00  0.00    -0.309 NA
ATOM     18  H   LIG    1       -4.530  -1.052  -0.428  0.00  0.00    +0.123 HD
ATOM     19  C   LIG    1       -6.158   0.132  -0.132  0.00  0.00    +0.081 C 
ATOM     20  C   LIG    1       -5.953   1.195  -1.199  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -4.448   1.401  -1.266  0.00  0.00    +0.025 C 
ENDBRANCH  13  16
ENDBRANCH   5  10
BRANCH   1  25
ATOM     22  N   LIG    1        4.277   1.267  -2.404  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        3.333   1.150  -2.042  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        4.441   1.880  -3.189  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1        5.332   0.609  -1.844  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        6.470   0.746  -2.275  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 3