REMARK  Name = BDB023938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.780   5.536  -0.818  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.606   4.647  -0.498  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.865   3.303  -0.262  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.298   2.490   0.138  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.001   1.032   0.066  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        0.799  -0.122   0.269  0.00  0.00    +0.165 A 
ATOM      7  N   LIG    1        0.087  -1.244   0.092  0.00  0.00    -0.152 NA
ATOM      8  N   LIG    1       -1.155  -0.832  -0.225  0.00  0.00    -0.263 N 
ATOM      9  C   LIG    1       -1.256   0.528  -0.233  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -2.442   1.371  -0.524  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -2.207   2.777   0.058  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        0.533   5.116  -0.463  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        2.194  -0.229   0.632  0.00  0.00    -0.299 N 
ATOM     14  C   LIG    1        2.953  -1.399   0.791  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        4.255  -1.022   1.149  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        5.229  -2.021   1.369  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        4.893  -3.369   1.230  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.603  -3.733   0.875  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        4.296   0.397   1.212  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1        5.472   1.239   1.554  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        2.621  -2.763   0.651  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        3.031   0.842   0.895  0.00  0.00    +0.097 A 
ENDBRANCH   6  13
BRANCH   8  23
ATOM     23  C   LIG    1       -2.161  -1.857  -0.471  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1       -2.875  -1.715  -1.819  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -3.903  -2.826  -1.973  0.00  0.00    +0.162 C 
ATOM     26  O   LIG    1       -4.817  -2.806  -0.877  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1       -4.176  -3.071   0.370  0.00  0.00    +0.162 C 
ATOM     28  C   LIG    1       -3.157  -1.986   0.684  0.00  0.00    +0.055 C 
ENDBRANCH   8  23
TORSDOF 2