REMARK  Name = BDB039422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.640   0.122   0.759  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.995   0.330   1.970  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.473   0.730   3.014  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.588  -0.030   1.768  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.416  -0.373   0.431  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.169  -0.755  -0.035  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        0.071  -0.794   0.854  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.293  -0.443   2.213  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        1.554  -0.054   2.680  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.707  -0.236  -0.303  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.264  -1.198   0.365  0.00  0.00    +0.072 A 
ATOM     12  N   LIG    1       -1.272  -2.122  -0.623  0.00  0.00    -0.245 NA
ATOM     13  C   LIG    1       -2.458  -2.537  -1.110  0.00  0.00    +0.090 A 
ATOM     14  C   LIG    1       -3.712  -2.065  -0.667  0.00  0.00    +0.094 A 
ATOM     15  N   LIG    1       -4.880  -2.530  -1.175  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1       -4.831  -3.459  -2.151  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1       -3.653  -3.970  -2.650  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -3.681  -1.095   0.338  0.00  0.00    -0.004 A 
ATOM     19  C   LIG    1       -2.462  -3.495  -2.112  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1       -2.447  -0.666   0.860  0.00  0.00    +0.035 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -4.961  -0.479   0.864  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -5.363   0.730   0.138  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -4.544   1.908   0.419  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -5.396   3.063  -0.090  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -6.824   2.532  -0.109  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -6.730   1.131   0.472  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   7  11
BRANCH   1  33
ATOM     27  O   LIG    1        9.121   1.961  -1.803  0.00  0.00    -0.275 OA
ATOM     28  C   LIG    1        8.242   1.567  -1.043  0.00  0.00    +0.219 C 
ATOM     29  N   LIG    1        7.220   2.395  -0.653  0.00  0.00    -0.255 N 
ATOM     30  H   LIG    1        7.214   3.300  -1.105  0.00  0.00    +0.158 HD
ATOM     31  C   LIG    1        6.002   1.992  -0.156  0.00  0.00    +0.240 C 
ATOM     32  O   LIG    1        5.016   2.718  -0.268  0.00  0.00    -0.273 OA
ATOM     33  C   LIG    1        5.992   0.606   0.512  0.00  0.00    +0.163 C 
ATOM     34  C   LIG    1        6.812  -0.360  -0.338  0.00  0.00    +0.041 C 
ATOM     35  C   LIG    1        8.232   0.167  -0.474  0.00  0.00    +0.098 C 
ENDBRANCH   1  33
TORSDOF 4