REMARK  Name = BDB044685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.242  -0.309  -0.768  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1       -0.973  -0.563   0.444  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1       -2.210  -1.230   0.385  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -2.669  -1.628  -0.853  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1       -3.847  -2.299  -1.206  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1       -3.872  -2.479  -2.607  0.00  0.00    +0.330 A 
ATOM      7  N   LIG    1       -2.682  -1.901  -3.096  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -2.280  -1.846  -4.472  0.00  0.00    +0.154 C 
ATOM      9  O   LIG    1       -4.748  -3.025  -3.259  0.00  0.00    -0.246 OA
ATOM     10  C   LIG    1       -4.861  -2.735  -0.292  0.00  0.00    +0.154 C 
ATOM     11  C   LIG    1       -1.950  -1.379  -2.021  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1       -0.738  -0.722  -2.010  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   2  13
ATOM     13  N   LIG    1       -0.439  -0.076   1.664  0.00  0.00    -0.328 N 
ATOM     14  C   LIG    1       -0.966   1.267   1.988  0.00  0.00    +0.105 C 
ATOM     15  C   LIG    1       -0.990   1.299   3.512  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -1.365  -0.130   3.858  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1       -0.558  -0.942   2.851  0.00  0.00    +0.105 C 
ENDBRANCH   2  13
BRANCH   1  19
ATOM     18  C   LIG    1        1.886   0.768  -1.576  0.00  0.00    +0.252 C 
ATOM     19  N   LIG    1        0.993   0.360  -0.612  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        1.225   0.539   0.365  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        1.730   0.613  -2.785  0.00  0.00    -0.270 OA
BRANCH  18  23
ATOM     22  C   LIG    1        3.503   1.654   0.247  0.00  0.00    +0.132 A 
ATOM     23  C   LIG    1        3.134   1.469  -1.103  0.00  0.00    +0.079 A 
ATOM     24  C   LIG    1        3.985   1.963  -2.113  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        5.168   2.632  -1.802  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.520   2.820  -0.472  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.694   2.337   0.545  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1        3.154   1.109   2.551  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        2.663   1.170   1.217  0.00  0.00    -0.494 OA
ENDBRANCH  22  29
ENDBRANCH  18  23
ENDBRANCH   1  19
TORSDOF 4