REMARK  Name = BDB056594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.749  -0.054   0.978  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.283  -0.151   2.244  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1       -0.052  -0.141   2.490  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1       -0.965  -0.009   1.442  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -0.467   0.117   0.150  0.00  0.00    +0.052 A 
ATOM      6  N   LIG    1       -1.546   0.256  -0.690  0.00  0.00    -0.354 N 
ATOM      7  H   LIG    1       -1.480   0.374  -1.691  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1       -2.718   0.205   0.022  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -2.385   0.043   1.349  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        0.903   0.104  -0.117  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -4.128   0.321  -0.617  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.358   0.282   0.013  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1       -5.734   0.125   1.441  0.00  0.00    +0.066 C 
ATOM     14  N   LIG    1       -6.282   0.427  -0.997  0.00  0.00    -0.271 N 
ATOM     15  C   LIG    1       -7.722   0.455  -0.877  0.00  0.00    +0.172 C 
ATOM     16  N   LIG    1       -5.733   0.553  -2.220  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1       -4.423   0.489  -1.984  0.00  0.00    +0.144 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  N   LIG    1        3.136  -0.069   0.859  0.00  0.00    -0.297 N 
ATOM     19  H   LIG    1        3.562  -0.047   1.782  0.00  0.00    +0.154 HD
BRANCH  18  21
ATOM     20  C   LIG    1        5.412  -0.143   0.022  0.00  0.00    +0.141 A 
ATOM     21  C   LIG    1        4.048  -0.494  -0.129  0.00  0.00    +0.075 A 
ATOM     22  C   LIG    1        3.664  -1.196  -1.278  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        4.601  -1.546  -2.254  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        5.937  -1.193  -2.097  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.345  -0.496  -0.960  0.00  0.00    +0.047 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.051   1.000   1.331  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        5.718   0.530   1.183  0.00  0.00    -0.493 OA
ENDBRANCH  20  27
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4