REMARK  Name = BDB041255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.040   1.201   0.434  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        1.004   1.186  -0.701  0.00  0.00    +0.029 C 
ENDROOT
BRANCH   1  12
ATOM      3  C   LIG    1       -6.275  -0.390  -0.694  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -6.237   0.741   0.292  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1       -7.261   1.230   0.757  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1       -5.001   1.213   0.653  0.00  0.00    -0.321 N 
ATOM      7  H   LIG    1       -4.993   1.971   1.322  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -3.805   0.699   0.141  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -3.835  -0.343  -0.781  0.00  0.00    +0.088 A 
ATOM     10  N   LIG    1       -2.731  -0.901  -1.318  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -1.543  -0.388  -0.913  0.00  0.00    +0.116 A 
ATOM     12  C   LIG    1       -1.397   0.667  -0.010  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1       -2.574   1.208   0.534  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1       -5.126  -0.879  -1.197  0.00  0.00    +0.038 A 
BRANCH   3  16
ATOM     15  C   LIG    1       -8.242  -1.816  -0.053  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -7.628  -0.902  -1.104  0.00  0.00    +0.037 C 
ENDBRANCH   3  16
ENDBRANCH   1  12
BRANCH   1  17
ATOM     17  N   LIG    1        0.309   0.603   1.734  0.00  0.00    -0.289 NA
ATOM     18  C   LIG    1        0.868  -0.762   1.666  0.00  0.00    +0.131 C 
ATOM     19  C   LIG    1        1.883  -0.347   2.764  0.00  0.00    +0.201 C 
ATOM     20  C   LIG    1        1.566   1.105   2.320  0.00  0.00    +0.131 C 
BRANCH  19  21
ATOM     21  O   LIG    1        3.253  -0.831   2.736  0.00  0.00    -0.485 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.921  -0.805   1.546  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        4.704   0.281   1.189  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1        5.403   0.358   0.033  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1        5.351  -0.722  -0.790  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        4.619  -1.869  -0.483  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        3.903  -1.913   0.712  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.095  -0.681  -2.095  0.00  0.00    +0.262 C 
ATOM     29  N   LIG    1        6.969   0.334  -2.412  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1        7.393   0.224  -3.325  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        7.390   1.450  -1.600  0.00  0.00    +0.128 C 
ATOM     32  O   LIG    1        5.928  -1.581  -2.920  0.00  0.00    -0.269 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  17
TORSDOF 6