REMARK  Name = BDB046759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.557   1.266   0.122  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1       -0.841   0.052  -0.006  0.00  0.00    +0.077 A 
ATOM      3  C   LIG    1       -1.521  -1.166   0.053  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -2.909  -1.185   0.227  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.616   0.015   0.367  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -2.940   1.237   0.315  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.609  -2.495   0.294  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1       -4.869  -2.531  -0.271  0.00  0.00    -0.314 N 
ATOM      9  H   LIG    1       -5.135  -1.783  -0.896  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1       -5.577  -3.782  -0.381  0.00  0.00    +0.128 C 
ATOM     11  O   LIG    1       -3.063  -3.465   0.804  0.00  0.00    -0.270 OA
ENDBRANCH   4   7
BRANCH   2  12
ATOM     12  N   LIG    1        0.557   0.164  -0.195  0.00  0.00    -0.279 N 
ATOM     13  H   LIG    1        0.882   1.124  -0.161  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1        1.482  -0.847  -0.350  0.00  0.00    +0.248 C 
ATOM     15  O   LIG    1        1.262  -2.050  -0.321  0.00  0.00    -0.270 OA
BRANCH  14  16
ATOM     16  C   LIG    1        2.889  -0.393  -0.546  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        3.924  -1.197  -0.052  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        5.253  -0.794  -0.209  0.00  0.00    +0.060 A 
ATOM     19  C   LIG    1        5.559   0.389  -0.894  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        4.530   1.179  -1.406  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.198   0.791  -1.234  0.00  0.00    +0.013 A 
BRANCH  18  22
ATOM     22  C   LIG    1        6.327  -1.658   0.329  0.00  0.00    +0.337 C 
ATOM     23  O   LIG    1        6.336  -2.868   0.210  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1        7.272  -0.958   0.991  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1        7.049  -0.022   1.151  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  18  22
ENDBRANCH  14  16
ENDBRANCH   2  12
BRANCH   1  26
ATOM     26  O   LIG    1       -0.789   2.405   0.054  0.00  0.00    -0.490 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -1.605   4.168   1.507  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1       -1.430   3.680   0.079  0.00  0.00    +0.226 C 
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 7