REMARK  Name = BDB020844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.647  -0.078   0.148  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -1.855   0.057  -1.035  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -0.505  -0.166  -0.920  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.002  -0.051  -2.182  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.958   0.295  -3.013  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.122  -0.471   0.288  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.592  -0.606   1.371  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.128   0.369  -2.288  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.956  -0.404   1.267  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -4.911  -0.142  -0.853  0.00  0.00    +0.005 C 
ATOM     11  C   LIG    1       -6.397   0.068  -0.837  0.00  0.00    +0.187 C 
ATOM     12  O   LIG    1       -6.904   0.317   0.477  0.00  0.00    -0.375 OA
ATOM     13  C   LIG    1       -6.114   1.283   1.167  0.00  0.00    +0.165 C 
ATOM     14  C   LIG    1       -4.726   0.705   1.448  0.00  0.00    +0.063 C 
ATOM     15  C   LIG    1       -4.105   0.126   0.194  0.00  0.00    -0.035 C 
ENDBRANCH   1  15
BRANCH   6  16
ATOM     16  N   LIG    1        1.487  -0.651   0.347  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1        1.693  -1.114   1.233  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.354   0.521   0.246  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.783   0.108   0.499  0.00  0.00    -0.020 A 
ATOM     20  C   LIG    1        4.676  -0.275  -0.530  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        5.971  -0.655  -0.191  0.00  0.00    +0.135 A 
ATOM     22  O   LIG    1        6.678  -0.984  -1.307  0.00  0.00    -0.463 OA
ATOM     23  C   LIG    1        5.846  -0.822  -2.366  0.00  0.00    +0.196 A 
ATOM     24  C   LIG    1        6.465  -0.695   1.109  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        5.580  -0.326   2.122  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        4.609  -0.391  -1.947  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        4.270   0.063   1.827  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4