REMARK  Name = BDB049842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.890   0.108  -0.245  0.00  0.00    -0.305 N 
ATOM      2  H   LIG    1       -0.999  -0.863  -0.502  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -2.029   0.769   0.200  0.00  0.00    +0.280 C 
ATOM      4  O   LIG    1       -1.963   1.754   0.930  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.280   0.183  -0.257  0.00  0.00    +0.195 A 
ATOM      6  N   LIG    1       -3.459  -0.519  -1.427  0.00  0.00    -0.334 N 
ATOM      7  H   LIG    1       -2.747  -0.679  -2.124  0.00  0.00    +0.168 HD
ATOM      8  C   LIG    1       -4.771  -0.907  -1.514  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1       -5.365  -0.393  -0.364  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -6.739  -0.613  -0.147  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -7.458  -1.349  -1.108  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -6.830  -1.848  -2.252  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -5.467  -1.635  -2.482  0.00  0.00    +0.028 A 
ATOM     14  N   LIG    1       -4.426   0.282   0.393  0.00  0.00    -0.223 NA
BRANCH  10  15
ATOM     15  C   LIG    1       -7.443  -0.095   1.050  0.00  0.00    +0.244 C 
ATOM     16  O   LIG    1       -8.636  -0.309   1.231  0.00  0.00    -0.270 OA
ATOM     17  N   LIG    1       -6.713   0.632   1.945  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -5.727   0.835   1.786  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -7.172   1.020   2.756  0.00  0.00    +0.145 HD
ENDBRANCH  10  15
ENDBRANCH   3   5
BRANCH   1  22
ATOM     20  N   LIG    1        2.843  -0.024  -0.151  0.00  0.00    -0.301 NA
ATOM     21  C   LIG    1        1.523   0.068  -0.779  0.00  0.00    +0.106 C 
ATOM     22  C   LIG    1        0.437   0.502   0.239  0.00  0.00    +0.087 C 
ATOM     23  C   LIG    1        0.702  -0.070   1.645  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1        1.539  -1.340   1.561  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1        2.888  -1.079   0.875  0.00  0.00    +0.084 C 
BRANCH  20  26
ATOM     26  C   LIG    1        3.913  -0.158  -1.147  0.00  0.00    +0.085 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.342  -0.001  -0.597  0.00  0.00    +0.018 C 
BRANCH  27  29
ATOM     28  C   LIG    1        4.992   2.011   0.965  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1        5.755   1.439  -0.229  0.00  0.00    -0.016 C 
ATOM     30  C   LIG    1        7.259   1.477   0.067  0.00  0.00    +0.007 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH   1  22
TORSDOF 6