REMARK  Name = BDB035222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.183   0.844  -1.619  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -3.693   0.608  -1.519  0.00  0.00    +0.111 A 
ATOM      3  N   LIG    1       -3.125   0.106  -0.368  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1       -1.728   0.035  -0.256  0.00  0.00    +0.264 A 
ATOM      5  O   LIG    1       -1.159  -0.239   0.804  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -0.916   0.306  -1.468  0.00  0.00    +0.086 A 
ATOM      7  C   LIG    1       -1.633   0.733  -2.587  0.00  0.00    +0.080 A 
ATOM      8  C   LIG    1       -0.951   1.022  -3.767  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        0.428   0.875  -3.832  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        1.137   0.437  -2.710  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        0.500   0.157  -1.494  0.00  0.00    +0.042 A 
ATOM     12  N   LIG    1       -3.018   0.898  -2.582  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -3.872  -0.281   0.846  0.00  0.00    +0.178 C 
ATOM     14  C   LIG    1       -4.437   0.924   1.603  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -4.108   2.088   1.392  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -5.359   0.623   2.582  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -5.743   1.417   3.078  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -6.022  -0.565   2.767  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -6.973  -0.644   3.539  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -5.497  -1.762   2.006  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1       -4.943  -1.355   0.646  0.00  0.00    +0.044 C 
ENDBRANCH   3  13
BRANCH  11  22
ATOM     22  N   LIG    1        1.183  -0.354  -0.391  0.00  0.00    -0.338 N 
ATOM     23  H   LIG    1        0.561  -0.354   0.430  0.00  0.00    +0.147 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.589  -0.167  -0.007  0.00  0.00    +0.033 C 
ATOM     25  C   LIG    1        3.525  -1.127  -0.777  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1        4.977  -0.970  -0.289  0.00  0.00    -0.008 C 
ATOM     27  C   LIG    1        5.422   0.491  -0.479  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1        4.522   1.435   0.338  0.00  0.00    -0.008 C 
ATOM     29  C   LIG    1        4.600   1.051   1.824  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1        4.141  -0.403   2.012  0.00  0.00    -0.008 C 
ATOM     31  C   LIG    1        5.054  -1.334   1.201  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1        3.067   1.296  -0.148  0.00  0.00    +0.029 C 
ATOM     33  C   LIG    1        2.697  -0.544   1.504  0.00  0.00    +0.029 C 
ENDBRANCH  22  24
ENDBRANCH  11  22
TORSDOF 3