REMARK  Name = BDB029632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.017  -0.721  -0.392  0.00  0.00    -0.291 NA
ATOM      2  C   LIG    1        0.271   0.709  -0.644  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1        1.676   0.545  -0.020  0.00  0.00    +0.201 C 
ATOM      4  C   LIG    1        1.425  -0.971  -0.190  0.00  0.00    +0.130 C 
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -0.760  -0.908   0.866  0.00  0.00    +0.121 C 
BRANCH   5  15
ATOM      6  C   LIG    1       -7.107  -0.240  -0.498  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1       -6.482  -1.118  -1.549  0.00  0.00    +0.252 A 
ATOM      8  O   LIG    1       -7.140  -1.587  -2.473  0.00  0.00    -0.268 OA
ATOM      9  N   LIG    1       -5.141  -1.378  -1.437  0.00  0.00    -0.321 N 
ATOM     10  H   LIG    1       -4.740  -1.967  -2.154  0.00  0.00    +0.169 HD
ATOM     11  C   LIG    1       -4.346  -0.868  -0.406  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1       -4.913  -0.055   0.570  0.00  0.00    +0.088 A 
ATOM     13  N   LIG    1       -4.221   0.477   1.599  0.00  0.00    -0.253 NA
ATOM     14  C   LIG    1       -2.900   0.182   1.647  0.00  0.00    +0.116 A 
ATOM     15  C   LIG    1       -2.233  -0.613   0.716  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1       -2.989  -1.157  -0.331  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -6.339   0.249   0.494  0.00  0.00    +0.038 A 
BRANCH   6  19
ATOM     18  C   LIG    1       -9.261   0.891   0.365  0.00  0.00    +0.009 C 
ATOM     19  C   LIG    1       -8.586   0.006  -0.677  0.00  0.00    +0.037 C 
ENDBRANCH   6  19
ENDBRANCH   5  15
ENDBRANCH   1   5
BRANCH   3  20
ATOM     20  O   LIG    1        2.759   1.134  -0.775  0.00  0.00    -0.485 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.047   0.913  -0.368  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        4.442   0.288   0.806  0.00  0.00    +0.157 A 
ATOM     23  N   LIG    1        5.733   0.092   1.163  0.00  0.00    -0.247 NA
ATOM     24  C   LIG    1        6.684   0.554   0.312  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1        6.385   1.204  -0.881  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        5.044   1.381  -1.220  0.00  0.00    +0.049 A 
BRANCH  24  27
ATOM     27  C   LIG    1        8.109   0.335   0.728  0.00  0.00    +0.262 C 
ATOM     28  N   LIG    1        9.001   0.043  -0.296  0.00  0.00    -0.313 N 
ATOM     29  H   LIG    1        8.627  -0.263  -1.184  0.00  0.00    +0.149 HD
ATOM     30  C   LIG    1       10.363  -0.315   0.015  0.00  0.00    +0.128 C 
ATOM     31  O   LIG    1        8.444   0.396   1.906  0.00  0.00    -0.269 OA
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6