REMARK  Name = BDB012396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.343  -0.275  -1.273  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        1.207  -1.089  -1.237  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1        0.675  -1.049  -2.511  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        1.531  -0.223  -3.249  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        2.543   0.245  -2.524  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        5.195   1.185   0.592  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        4.327   0.875  -0.457  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        3.239   0.044  -0.197  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        3.004  -0.466   1.043  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        3.861  -0.150   2.035  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        4.962   0.664   1.863  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        7.169   2.371   1.274  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        6.375   2.059   0.406  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.505   2.500  -0.856  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        7.312   3.056  -0.838  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1        0.833  -1.714  -0.113  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -0.403  -2.432  -0.133  0.00  0.00    +0.269 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.591  -1.523   0.043  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1       -2.747  -1.719  -0.710  0.00  0.00    +0.130 A 
ATOM     20  F   LIG    1       -2.793  -2.704  -1.619  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -3.867  -0.906  -0.547  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1       -3.876   0.135   0.393  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -2.708   0.329   1.150  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -1.584  -0.489   0.987  0.00  0.00    +0.010 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.078   1.031   0.563  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -6.435   0.433   0.855  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -5.714   1.195   1.924  0.00  0.00    +0.009 C 
ENDBRANCH  22  25
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 7