REMARK  Name = BDB009276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.320   0.483  -1.179  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.535   1.086  -0.251  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.637   1.832  -0.693  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.847   1.974  -2.075  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.000   1.351  -2.996  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.080   0.593  -2.549  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1        2.547   0.280  -0.117  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1        1.451  -0.343  -0.716  0.00  0.00    +0.247 C 
ATOM      9  O   LIG    1        1.367  -1.556  -0.893  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     10  C   LIG    1        3.498   2.243  -1.321  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1        2.769   1.730  -0.090  0.00  0.00    +0.105 C 
ENDBRANCH   7  11
BRANCH   7  12
ATOM     12  C   LIG    1        3.646  -0.585   0.333  0.00  0.00    +0.123 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.483  -1.185  -0.819  0.00  0.00    +0.102 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.715  -1.867  -0.365  0.00  0.00    -0.307 NA
ATOM     15  C   LIG    1        6.541  -2.218  -1.524  0.00  0.00    +0.104 C 
ATOM     16  C   LIG    1        5.405  -3.078   0.400  0.00  0.00    +0.104 C 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1       -2.564   2.515   0.286  0.00  0.00    +0.092 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.980   1.637   1.463  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1       -3.931   0.501   1.243  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -4.516   0.232  -0.115  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -5.708  -0.730  -0.080  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -5.428  -1.916   0.834  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.135  -1.451   2.262  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -4.229  -0.252   2.316  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -3.648   0.078   3.642  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -3.917  -0.574   4.647  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -2.805   1.154   3.675  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -2.396   1.394   4.572  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -2.458   1.933   2.616  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7