REMARK  Name = BDB005993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.140   0.614  -1.155  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -3.115  -0.298  -0.583  0.00  0.00    -0.293 N 
ATOM      3  C   LIG    1       -3.486  -0.311   0.749  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -3.060   0.420   1.623  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -4.497  -1.375   0.918  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -4.685  -1.943  -0.357  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1       -5.570  -2.989  -0.565  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -6.276  -3.474   0.531  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -6.088  -2.910   1.804  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -5.193  -1.841   2.028  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -3.826  -1.272  -1.377  0.00  0.00    +0.144 C 
BRANCH  10  12
ATOM     12  C   LIG    1       -5.104  -1.350   3.433  0.00  0.00    +0.242 C 
ATOM     13  O   LIG    1       -5.682  -1.944   4.340  0.00  0.00    -0.270 OA
ATOM     14  N   LIG    1       -4.393  -0.230   3.724  0.00  0.00    -0.325 N 
ATOM     15  H   LIG    1       -3.787   0.249   3.059  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -4.299   0.029   4.696  0.00  0.00    +0.145 HD
ENDBRANCH  10  12
ENDBRANCH   1   2
BRANCH   1  20
ATOM     17  N   LIG    1        2.056  -0.240  -0.816  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        1.204  -1.423  -0.999  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -0.249  -1.097  -1.378  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1       -0.687   0.256  -0.809  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1        0.264   1.364  -1.306  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1        1.655   0.852  -1.701  0.00  0.00    +0.085 C 
BRANCH  17  23
ATOM     23  C   LIG    1        3.477  -0.597  -0.952  0.00  0.00    +0.119 C 
BRANCH  23  28
ATOM     24  C   LIG    1        7.144   3.481   1.041  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        6.217   2.415   0.537  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1        5.174   1.945   1.342  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        4.291   0.975   0.862  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        4.422   0.469  -0.440  0.00  0.00    -0.033 A 
ATOM     29  C   LIG    1        5.463   0.949  -1.246  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        6.347   1.918  -0.764  0.00  0.00    +0.003 A 
ENDBRANCH  23  28
ENDBRANCH  17  23
ENDBRANCH   1  20
TORSDOF 5