REMARK  Name = BDB043085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.479  -0.669  -0.527  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -2.073  -0.326  -0.014  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1       -1.764   0.836   0.269  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -1.177  -1.372   0.082  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -1.503  -2.797   0.003  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -0.130  -3.475   0.071  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        0.674  -2.553   0.989  0.00  0.00    +0.014 C 
ATOM      8  C   LIG    1        2.186  -2.700   0.815  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        2.889  -1.371   1.096  0.00  0.00    +0.085 C 
ATOM     10  N   LIG    1        2.507  -0.320   0.137  0.00  0.00    -0.301 NA
ATOM     11  C   LIG    1        1.118  -0.445  -0.351  0.00  0.00    +0.107 C 
ATOM     12  C   LIG    1       -2.307  -3.260  -1.224  0.00  0.00    +0.022 C 
ATOM     13  C   LIG    1       -2.443  -2.218  -2.329  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        0.161  -1.149   0.631  0.00  0.00    +0.094 C 
ATOM     15  C   LIG    1       -3.442  -1.104  -1.996  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1       -5.685   0.441  -0.265  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -4.317   0.515  -0.358  0.00  0.00    -0.303 N 
ATOM     18  H   LIG    1       -3.825   1.382  -0.166  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -6.294  -0.619  -0.420  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -6.412   1.794  -0.044  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -5.868   2.545   1.168  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -8.694   2.526  -0.467  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -7.853   1.528   0.174  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -8.059   0.605  -0.227  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  10  25
ATOM     25  C   LIG    1        2.768   1.031   0.662  0.00  0.00    +0.085 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.244   1.315   0.978  0.00  0.00    +0.020 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.149   1.168  -0.249  0.00  0.00    +0.036 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.579   1.528   0.072  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1        7.059   2.823  -0.166  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        8.378   3.156   0.144  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        9.228   2.201   0.699  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.759   0.912   0.946  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        7.440   0.577   0.636  0.00  0.00    +0.003 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 7