REMARK  Name = BDB050526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.172   3.982   0.664  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.734   3.809   0.249  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.234   2.513   0.196  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.848   2.384  -0.295  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.287   1.034  -0.006  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -0.974   0.484  -0.145  0.00  0.00    +0.152 A 
ATOM      7  N   LIG    1       -0.970  -0.781   0.306  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.218  -1.043   0.710  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.053   0.010   0.518  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.495   0.103   0.849  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.095   1.317   0.116  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.046   4.795  -0.020  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.149   1.100  -0.650  0.00  0.00    -0.283 N 
ATOM     14  C   LIG    1        1.471   0.578  -0.496  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        2.370   0.362  -1.565  0.00  0.00    -0.025 A 
ATOM     16  C   LIG    1        3.682  -0.088  -1.280  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        4.109  -0.367   0.025  0.00  0.00    -0.015 A 
ATOM     18  C   LIG    1        3.203  -0.191   1.069  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        2.044   0.571  -3.033  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1        0.575   0.435  -3.428  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1       -0.267   1.641  -3.021  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1        1.910   0.273   0.809  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        0.081   2.177  -1.636  0.00  0.00    +0.112 C 
BRANCH  17  24
ATOM     24  C   LIG    1        5.461  -0.842   0.269  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        6.184  -0.635   1.427  0.00  0.00    +0.116 A 
ATOM     26  N   LIG    1        7.398  -1.228   1.235  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        8.497  -1.278   2.167  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        7.527  -1.807   0.028  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        6.349  -1.572  -0.556  0.00  0.00    +0.142 A 
ENDBRANCH  17  24
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -2.526  -2.332   1.277  0.00  0.00    +0.135 C 
ATOM     31  C   LIG    1       -1.647  -2.740   2.446  0.00  0.00    +0.186 C 
ATOM     32  O   LIG    1       -1.782  -4.170   2.559  0.00  0.00    -0.378 OA
ATOM     33  C   LIG    1       -2.272  -4.672   1.306  0.00  0.00    +0.162 C 
ATOM     34  C   LIG    1       -2.340  -3.507   0.339  0.00  0.00    +0.057 C 
ENDBRANCH   8  30
TORSDOF 3