REMARK  Name = BDB007681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.232   3.130   1.108  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.944   2.376   0.452  0.00  0.00    +0.263 C 
ATOM      3  N   LIG    1       -0.843   2.271  -0.925  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1       -1.208   1.444  -1.384  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.944   1.477   1.115  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -1.625   1.059   2.356  0.00  0.00    -0.231 NA
ATOM      7  C   LIG    1       -2.532   0.277   2.940  0.00  0.00    +0.224 A 
ATOM      8  N   LIG    1       -3.690  -0.128   2.397  0.00  0.00    -0.221 NA
ATOM      9  C   LIG    1       -3.971   0.297   1.156  0.00  0.00    +0.123 A 
ATOM     10  C   LIG    1       -3.113   1.129   0.469  0.00  0.00    +0.076 A 
BRANCH   9  11
ATOM     11  N   LIG    1       -5.185  -0.050   0.545  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -5.031  -0.383  -0.402  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -6.067  -0.943   1.313  0.00  0.00    +0.087 C 
ATOM     14  C   LIG    1       -7.455  -0.997   0.651  0.00  0.00    +0.103 C 
ATOM     15  N   LIG    1       -7.453  -2.211  -0.185  0.00  0.00    -0.314 NA
ATOM     16  H   LIG    1       -6.917  -2.018  -1.031  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -6.717  -3.182   0.629  0.00  0.00    +0.083 C 
ATOM     18  C   LIG    1       -5.578  -2.395   1.258  0.00  0.00    +0.038 C 
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        0.201   2.964  -1.663  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.439   2.088  -1.904  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.032   0.863  -2.541  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        1.787   0.255  -2.385  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.221   1.749  -0.617  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.330   0.802  -0.903  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        3.765   0.168   0.362  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        4.993  -0.706   0.213  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        5.873  -0.534  -0.869  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        7.019  -1.334  -0.970  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.304  -2.282   0.012  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.445  -2.441   1.097  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.548   0.465  -1.949  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        5.297  -1.655   1.200  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.487   1.485  -1.512  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8