REMARK  Name = BDB020955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.865  -0.232   0.141  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        2.039  -1.353   0.632  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        1.161  -1.973  -0.471  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.408  -0.973  -1.232  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.877  -1.274  -1.658  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.378  -2.382  -1.473  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.114   0.281  -1.524  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.625   0.210  -1.240  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.804   0.121   1.472  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        6.414   0.376   0.170  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        5.138   0.262  -0.274  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1        4.177  -0.133   0.593  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.501  -0.391   1.927  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        5.821  -0.269   2.370  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  N   LIG    1        9.277   0.379   2.188  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        8.168   0.264   1.867  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.617  -0.178  -2.414  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.117  -0.444  -2.525  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.840   0.193  -1.361  0.00  0.00    +0.111 A 
ATOM     20  N   LIG    1       -4.173   1.515  -1.513  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.979   2.009  -2.372  0.00  0.00    +0.170 HD
ATOM     22  C   LIG    1       -4.813   2.244  -0.542  0.00  0.00    +0.261 A 
ATOM     23  O   LIG    1       -5.110   3.421  -0.696  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.114   1.517   0.691  0.00  0.00    +0.083 A 
ATOM     25  C   LIG    1       -4.738   0.180   0.772  0.00  0.00    +0.081 A 
ATOM     26  C   LIG    1       -5.020  -0.519   1.940  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -5.663   0.149   2.971  0.00  0.00    +0.113 A 
ATOM     28  N   LIG    1       -6.036   1.448   2.911  0.00  0.00    -0.262 NA
ATOM     29  C   LIG    1       -5.753   2.111   1.764  0.00  0.00    +0.126 A 
ATOM     30  N   LIG    1       -4.084  -0.478  -0.284  0.00  0.00    -0.234 NA
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5