REMARK  Name = BDB057054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.245  -3.158   0.637  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        0.049  -2.222  -0.126  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1        1.064  -1.636  -0.862  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1        0.929  -0.655  -1.061  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1       -1.156  -1.613  -0.401  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -1.164  -1.024  -1.220  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.450  -2.071  -0.702  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1        3.078  -1.532   0.593  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        3.796  -0.204   0.359  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1        4.837  -0.259  -0.680  0.00  0.00    -0.298 NA
ATOM     11  C   LIG    1        4.720  -1.414  -1.578  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1        3.265  -1.683  -1.941  0.00  0.00    +0.038 C 
BRANCH  10  13
ATOM     13  C   LIG    1        6.200  -0.165  -0.132  0.00  0.00    +0.119 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.523   1.196   0.451  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1        6.341   2.362  -0.308  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        6.659   3.613   0.222  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.169   3.713   1.515  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        7.362   2.562   2.277  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.045   1.310   1.748  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   5  20
ATOM     20  C   LIG    1       -2.403  -1.859   0.204  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -3.521  -1.222  -0.350  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -4.805  -1.390   0.199  0.00  0.00    -0.032 A 
ATOM     23  C   LIG    1       -4.957  -2.226   1.312  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -3.849  -2.861   1.871  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.577  -2.676   1.322  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -6.009  -0.717  -0.427  0.00  0.00    +0.119 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -5.808   0.718  -0.685  0.00  0.00    -0.294 NA
ATOM     28  C   LIG    1       -5.750   1.523   0.556  0.00  0.00    +0.113 C 
ATOM     29  C   LIG    1       -7.067   2.247   0.881  0.00  0.00    +0.175 C 
ATOM     30  O   LIG    1       -7.495   3.138  -0.158  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1       -7.039   2.746  -1.460  0.00  0.00    +0.175 C 
ATOM     32  C   LIG    1       -6.863   1.227  -1.588  0.00  0.00    +0.113 C 
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH   5  20
TORSDOF 6