REMARK  Name = BDB049972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.244  -1.274   0.640  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        2.174  -0.488   0.255  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.810  -0.956   0.475  0.00  0.00    +0.117 C 
ATOM      4  C   LIG    1       -0.067   0.243   0.117  0.00  0.00    +0.057 C 
ATOM      5  C   LIG    1        0.732   0.889  -1.019  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1        2.175   0.722  -0.554  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        3.052  -2.376   1.156  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.476  -0.131  -0.251  0.00  0.00    +0.047 A 
ATOM      9  N   LIG    1       -1.648  -0.938  -1.323  0.00  0.00    -0.256 NA
ATOM     10  C   LIG    1       -2.908  -1.289  -1.669  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -3.067  -2.191  -2.856  0.00  0.00    +0.065 C 
ATOM     12  C   LIG    1       -4.025  -0.852  -0.969  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -3.849  -0.019   0.137  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -2.549   0.342   0.500  0.00  0.00    +0.032 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -4.983   0.462   0.907  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -6.247   0.696   0.405  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1       -6.998   1.153   1.450  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1       -8.388   1.538   1.420  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1       -6.313   1.240   2.604  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1       -5.090   0.820   2.272  0.00  0.00    +0.142 A 
ENDBRANCH  13  15
ENDBRANCH   4   8
BRANCH   1  25
ATOM     21  C   LIG    1        6.599   0.142   0.102  0.00  0.00    +0.128 A 
ATOM     22  N   LIG    1        6.857  -1.149   0.364  0.00  0.00    -0.170 NA
ATOM     23  N   LIG    1        5.645  -1.685   0.582  0.00  0.00    -0.272 N 
ATOM     24  H   LIG    1        5.575  -2.669   0.828  0.00  0.00    +0.189 HD
ATOM     25  C   LIG    1        4.597  -0.812   0.436  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        5.200   0.395   0.146  0.00  0.00    +0.065 A 
BRANCH  21  28
ATOM     27  C   LIG    1        9.086   0.644  -0.169  0.00  0.00    +0.093 C 
ATOM     28  C   LIG    1        7.655   1.121  -0.181  0.00  0.00    +0.180 C 
ATOM     29  O   LIG    1        7.387   2.299  -0.423  0.00  0.00    -0.291 OA
ENDBRANCH  21  28
ENDBRANCH   1  25
TORSDOF 4