REMARK  Name = BDB057371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.954  -3.560   0.181  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.030  -2.511  -0.031  0.00  0.00    +0.065 A 
ATOM      3  C   LIG    1        1.341  -2.786   0.165  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1        1.790  -4.059   0.517  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.868  -5.079   0.722  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.497  -4.831   0.562  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -0.471  -1.164  -0.443  0.00  0.00    -0.011 A 
ATOM      8  C   LIG    1       -1.148  -0.320   0.451  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -1.544   0.980   0.084  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1       -2.252   1.851   1.094  0.00  0.00    +0.050 C 
ATOM     11  C   LIG    1       -3.653   2.288   0.650  0.00  0.00    +0.085 C 
ATOM     12  N   LIG    1       -3.671   3.433  -0.269  0.00  0.00    -0.315 NA
ATOM     13  H   LIG    1       -4.639   3.737  -0.375  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -3.149   3.103  -1.600  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -1.638   2.842  -1.644  0.00  0.00    +0.050 C 
ATOM     16  C   LIG    1       -1.256   1.447  -1.210  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1       -0.583   0.606  -2.108  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -0.198  -0.682  -1.729  0.00  0.00    +0.009 A 
ENDBRANCH   2   7
BRANCH   1  20
ATOM     19  C   LIG    1       -3.225  -4.306   0.066  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -2.280  -3.248  -0.005  0.00  0.00    -0.494 OA
ENDBRANCH   1  20
BRANCH   3  21
ATOM     21  O   LIG    1        2.277  -1.800  -0.043  0.00  0.00    -0.485 OA
BRANCH  21  22
ATOM     22  C   LIG    1        2.704  -1.250   1.214  0.00  0.00    +0.284 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.413   0.066   0.983  0.00  0.00    +0.079 A 
ATOM     24  N   LIG    1        4.683   0.189   1.448  0.00  0.00    -0.256 NA
ATOM     25  C   LIG    1        5.296   1.378   1.261  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        4.707   2.465   0.636  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        3.405   2.332   0.156  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1        2.698   3.480  -0.497  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        2.748   1.115   0.347  0.00  0.00    +0.030 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5