REMARK  Name = BDB033085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.534  -0.181  -1.209  0.00  0.00    -0.295 N 
ATOM      2  C   LIG    1       -1.313   0.461  -2.412  0.00  0.00    +0.218 C 
ATOM      3  O   LIG    1       -2.159   0.906  -3.170  0.00  0.00    -0.276 OA
ATOM      4  C   LIG    1        0.174   0.585  -2.610  0.00  0.00    +0.119 C 
ATOM      5  C   LIG    1        0.750  -0.447  -1.639  0.00  0.00    +0.099 C 
ATOM      6  C   LIG    1       -0.305  -0.528  -0.532  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        2.082  -0.090  -1.188  0.00  0.00    -0.306 N 
ATOM      8  H   LIG    1        2.653   0.522  -1.768  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        2.771  -0.863  -0.280  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        2.237  -1.782   0.334  0.00  0.00    -0.270 OA
BRANCH   9  11
ATOM     11  C   LIG    1        4.216  -0.536  -0.058  0.00  0.00    +0.078 A 
ATOM     12  C   LIG    1        4.945   0.397  -0.812  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1        6.291   0.644  -0.526  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        6.924  -0.042   0.511  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        6.226  -0.990   1.264  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1        6.894  -1.708   2.399  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        4.872  -1.221   0.980  0.00  0.00    +0.020 A 
BRANCH  12  18
ATOM     18  O   LIG    1        4.359   1.082  -1.847  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        5.027   1.662  -2.254  0.00  0.00    +0.292 HD
ENDBRANCH  12  18
ENDBRANCH   9  11
ENDBRANCH   5   7
BRANCH   1  20
ATOM     20  C   LIG    1       -2.844  -0.393  -0.615  0.00  0.00    +0.143 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -4.661   0.645   0.839  0.00  0.00    +0.064 A 
ATOM     22  C   LIG    1       -3.371   0.731   0.262  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -2.619   1.896   0.508  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -3.113   2.928   1.311  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.374   2.824   1.885  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.146   1.689   1.650  0.00  0.00    +0.015 A 
BRANCH  21  27
ATOM     27  C   LIG    1       -5.530  -0.549   0.619  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1       -5.117  -1.682   0.440  0.00  0.00    -0.245 OA
BRANCH  27  30
ATOM     29  C   LIG    1       -7.747  -1.246   0.378  0.00  0.00    +0.280 C 
ATOM     30  O   LIG    1       -6.835  -0.173   0.619  0.00  0.00    -0.464 OA
ENDBRANCH  27  30
ENDBRANCH  21  27
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7