REMARK  Name = BDB028246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.263  -1.285   0.730  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -1.052  -0.124   0.708  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.402  -0.194   0.339  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.958  -1.425  -0.001  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.376  -1.489  -0.390  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -5.058  -0.298  -0.385  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -6.039  -0.323  -0.648  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.546   0.919  -0.056  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.905  -2.550  -0.700  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.182  -2.588   0.026  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.292   0.993   0.291  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.838  -2.517   0.395  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1        5.690   1.231  -1.064  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        4.472   0.572  -0.488  0.00  0.00    -0.046 A 
ATOM     15  C   LIG    1        4.501  -0.132   0.664  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1        3.314  -0.738   1.166  0.00  0.00    +0.138 A 
ATOM     17  N   LIG    1        2.143  -0.560   0.434  0.00  0.00    -0.299 N 
ATOM     18  C   LIG    1        1.137  -1.220   1.124  0.00  0.00    +0.073 A 
ATOM     19  C   LIG    1        1.778  -1.784   2.213  0.00  0.00    +0.139 A 
ATOM     20  C   LIG    1        2.101   0.155  -0.764  0.00  0.00    +0.093 A 
ATOM     21  N   LIG    1        3.112  -1.474   2.237  0.00  0.00    -0.235 NA
ATOM     22  C   LIG    1        3.225   0.719  -1.238  0.00  0.00    +0.021 A 
ENDBRANCH   1  18
BRANCH  11  23
ATOM     23  C   LIG    1       -2.706   2.358   0.663  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.717   3.416   0.550  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -4.509   3.151   1.142  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -4.112   3.366  -0.393  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH  11  23
TORSDOF 3