REMARK  Name = BDB023966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.233   5.194  -1.436  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.576   3.837  -0.878  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.521   3.015  -0.500  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.900   1.728   0.115  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.738   0.799   0.144  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.653  -0.580   0.480  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.610  -1.020   0.346  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1        1.315   0.046  -0.081  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        0.547   1.163  -0.194  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        0.949   2.519  -0.637  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -0.155   3.519  -0.234  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.753   3.489  -0.780  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -1.720  -1.474   0.912  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -1.838  -2.751   0.323  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1       -2.875  -3.589   0.726  0.00  0.00    +0.066 A 
ATOM     16  N   LIG    1       -2.730  -4.731  -0.019  0.00  0.00    -0.277 N 
ATOM     17  H   LIG    1       -3.307  -5.563   0.009  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1       -1.695  -4.704  -0.876  0.00  0.00    -0.181 NA
ATOM     19  C   LIG    1       -3.812  -3.232   1.700  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1       -3.675  -1.968   2.283  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -1.151  -3.503  -0.661  0.00  0.00    +0.143 A 
ATOM     22  C   LIG    1       -2.649  -1.102   1.899  0.00  0.00    +0.011 A 
ENDBRANCH   6  13
BRANCH   8  23
ATOM     23  C   LIG    1        2.742  -0.098  -0.355  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1        3.543  -0.107   0.953  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        4.897  -0.759   0.730  0.00  0.00    +0.162 C 
ATOM     26  O   LIG    1        4.813  -2.105   0.267  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1        3.589  -2.459  -0.382  0.00  0.00    +0.162 C 
ATOM     28  C   LIG    1        3.055  -1.320  -1.234  0.00  0.00    +0.055 C 
ENDBRANCH   8  23
TORSDOF 2