REMARK  Name = BDB026391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.103   2.506  -2.477  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -0.333   1.645  -1.416  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.488   1.111  -0.417  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -0.293   0.271   0.380  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1        0.252  -0.421   1.442  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        1.618  -0.243   1.694  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        2.414   0.616   0.895  0.00  0.00    -0.028 A 
ATOM      8  N   LIG    1       -1.604   0.296  -0.123  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1        1.836   1.300  -0.187  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -1.632   1.122  -1.271  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1       -2.594   1.331  -1.993  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -2.715  -0.504   0.346  0.00  0.00    +0.179 C 
ATOM     13  C   LIG    1       -2.975  -1.669  -0.620  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1       -2.094  -2.235  -1.265  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -4.265  -2.150  -0.648  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -4.426  -2.938  -1.261  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -5.331  -1.759   0.122  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -6.397  -2.367   0.085  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -5.093  -0.610   1.074  0.00  0.00    +0.099 C 
ATOM     20  C   LIG    1       -3.992   0.307   0.567  0.00  0.00    +0.044 C 
ENDBRANCH   8  12
BRANCH   7  21
ATOM     21  C   LIG    1        3.887   0.752   1.182  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.613  -0.384   0.666  0.00  0.00    -0.295 N 
ATOM     23  H   LIG    1        4.339  -0.718  -0.246  0.00  0.00    +0.151 HD
ATOM     24  C   LIG    1        5.945  -0.493   0.924  0.00  0.00    +0.297 C 
ATOM     25  O   LIG    1        6.594   0.240   1.653  0.00  0.00    -0.253 OA
ATOM     26  N   LIG    1        6.508  -1.539   0.268  0.00  0.00    -0.313 N 
ATOM     27  H   LIG    1        7.467  -1.705   0.551  0.00  0.00    +0.146 HD
ATOM     28  H   LIG    1        5.945  -2.375   0.211  0.00  0.00    +0.146 HD
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 3