REMARK  Name = BDB012789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.450   0.920  -1.943  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        0.306   0.205  -1.194  0.00  0.00    +0.133 C 
ATOM      3  N   LIG    1       -0.800   0.156  -2.148  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -2.096  -0.281  -1.918  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -2.997  -0.014  -2.712  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.501   0.972  -3.314  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1        0.666   1.848  -2.877  0.00  0.00    +0.046 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        4.245   1.169   0.632  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1        3.210   0.589  -0.289  0.00  0.00    +0.255 A 
ATOM     10  O   LIG    1        3.044  -0.629  -0.343  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1        2.461   1.499  -1.053  0.00  0.00    -0.310 N 
ATOM     12  C   LIG    1        2.711   2.860  -1.001  0.00  0.00    +0.089 A 
ATOM     13  C   LIG    1        3.653   3.365  -0.198  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        4.435   2.498   0.639  0.00  0.00    +0.010 A 
BRANCH   8  16
ATOM     15  C   LIG    1        4.261  -0.281   2.683  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1        5.044   0.215   1.476  0.00  0.00    +0.037 C 
ENDBRANCH   8  16
ENDBRANCH   1  11
BRANCH   4  17
ATOM     17  C   LIG    1       -2.366  -1.026  -0.713  0.00  0.00    +0.121 A 
ATOM     18  N   LIG    1       -1.604  -2.029  -0.185  0.00  0.00    -0.272 N 
ATOM     19  H   LIG    1       -0.742  -2.417  -0.553  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1       -2.096  -2.559   0.946  0.00  0.00    -0.178 NA
ATOM     21  C   LIG    1       -3.264  -1.927   1.120  0.00  0.00    +0.066 A 
ATOM     22  C   LIG    1       -3.483  -0.974   0.098  0.00  0.00    +0.057 A 
BRANCH  21  23
ATOM     23  C   LIG    1       -4.148  -2.276   2.283  0.00  0.00    +0.033 C 
ATOM     24  C   LIG    1       -5.495  -2.832   1.819  0.00  0.00    +0.014 C 
ATOM     25  C   LIG    1       -4.353  -1.077   3.212  0.00  0.00    +0.014 C 
ENDBRANCH  21  23
ENDBRANCH   4  17
TORSDOF 4