REMARK  Name = BDB012991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.556   1.181  -1.688  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.914   0.910  -0.473  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        0.067  -0.202  -0.362  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -0.147  -1.009  -1.491  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        0.475  -0.718  -2.707  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.324   0.382  -2.810  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.188   3.194  -2.656  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.458   2.340  -1.813  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1        3.545   2.484  -0.989  0.00  0.00    -0.252 N 
ATOM     10  H   LIG    1        3.996   3.390  -1.020  0.00  0.00    +0.158 HD
BRANCH   9  11
ATOM     11  C   LIG    1        4.204   1.555  -0.225  0.00  0.00    +0.201 A 
ATOM     12  N   LIG    1        3.980   0.202  -0.196  0.00  0.00    -0.326 N 
ATOM     13  H   LIG    1        3.302  -0.308  -0.739  0.00  0.00    +0.169 HD
ATOM     14  C   LIG    1        4.865  -0.367   0.684  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        5.624   0.703   1.138  0.00  0.00    +0.091 A 
ATOM     16  C   LIG    1        6.649   0.470   2.066  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        6.872  -0.841   2.505  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        6.091  -1.898   2.028  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        5.065  -1.685   1.100  0.00  0.00    +0.028 A 
ATOM     20  N   LIG    1        5.212   1.875   0.555  0.00  0.00    -0.214 NA
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -0.656  -0.491   0.935  0.00  0.00    +0.182 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -1.949   0.177   0.997  0.00  0.00    -0.225 N 
ATOM     23  C   LIG    1       -2.039   1.434   1.575  0.00  0.00    +0.268 A 
ATOM     24  O   LIG    1       -1.108   2.039   2.101  0.00  0.00    -0.266 OA
ATOM     25  C   LIG    1       -3.370   2.069   1.534  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -4.410   1.452   0.972  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1       -4.166   0.108   0.404  0.00  0.00    +0.093 A 
ATOM     28  N   LIG    1       -3.010  -0.481   0.407  0.00  0.00    -0.168 NA
BRANCH  27  29
ATOM     29  C   LIG    1       -5.320  -0.585  -0.225  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -5.088  -1.445  -1.293  0.00  0.00    +0.120 A 
ATOM     31  N   LIG    1       -6.062  -2.130  -1.942  0.00  0.00    -0.263 NA
ATOM     32  C   LIG    1       -7.324  -1.958  -1.496  0.00  0.00    +0.111 A 
ATOM     33  C   LIG    1       -7.657  -1.136  -0.430  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1       -6.637  -0.440   0.218  0.00  0.00    +0.013 A 
ENDBRANCH  27  29
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5