REMARK  Name = BDB057235
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.240   1.299   1.768  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -1.256   0.875   0.897  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -2.161  -0.133   1.265  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -2.029  -0.720   2.530  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.015  -0.313   3.402  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.123   0.687   3.022  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.196  -0.538   0.323  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1       -3.259  -0.048  -0.982  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -4.309  -0.632  -1.494  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -5.025  -0.628  -2.783  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1       -6.368  -1.296  -2.392  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -6.081  -2.118  -1.121  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1       -4.904  -1.461  -0.599  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -4.237  -1.426   0.568  0.00  0.00    +0.115 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     15  C   LIG    1        0.743   2.356   1.339  0.00  0.00    +0.139 C 
BRANCH  15  17
ATOM     16  C   LIG    1        3.066   1.552   1.479  0.00  0.00    +0.244 C 
ATOM     17  N   LIG    1        1.915   1.750   0.747  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        1.752   1.170  -0.065  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        3.225   1.960   2.624  0.00  0.00    -0.270 OA
BRANCH  16  22
ATOM     20  C   LIG    1        5.324   0.016  -1.165  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        4.306   0.773  -0.580  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1        4.137   0.761   0.813  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1        5.005   0.013   1.618  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1        6.019  -0.743   1.034  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.171  -0.742  -0.352  0.00  0.00    +0.045 A 
BRANCH  20  27
ATOM     26  C   LIG    1        4.779   0.698  -3.380  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        5.598  -0.065  -2.503  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  16  22
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 5