REMARK  Name = BDB014989
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.448   0.121   1.139  0.00  0.00    +0.192 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.650   0.316   0.206  0.00  0.00    +0.154 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -1.365  -0.268  -1.076  0.00  0.00    -0.388 OA
ATOM      4  H   LIG    1       -2.243  -0.395  -1.490  0.00  0.00    +0.210 HD
ENDBRANCH   2   3
BRANCH   2   5
ATOM      5  C   LIG    1       -2.911  -0.367   0.775  0.00  0.00    +0.118 C 
BRANCH   5   6
ATOM      6  N   LIG    1       -4.029  -0.357  -0.197  0.00  0.00    -0.295 NA
ATOM      7  C   LIG    1       -5.058  -1.335   0.221  0.00  0.00    +0.120 C 
ATOM      8  C   LIG    1       -6.316  -1.298  -0.621  0.00  0.00    -0.030 A 
ATOM      9  C   LIG    1       -6.641  -0.163  -1.383  0.00  0.00    -0.042 A 
ATOM     10  C   LIG    1       -7.826  -0.140  -2.129  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -8.698  -1.227  -2.099  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -8.390  -2.346  -1.330  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -5.683   0.998  -1.446  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1       -7.207  -2.381  -0.592  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -4.651   0.975  -0.310  0.00  0.00    +0.089 C 
ENDBRANCH   5   6
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1        0.581   1.054   0.786  0.00  0.00    -0.374 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.800   0.863   1.508  0.00  0.00    +0.121 C 
ATOM     18  C   LIG    1        2.631  -0.264   0.893  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        4.023  -0.326   1.522  0.00  0.00    +0.087 C 
ATOM     20  N   LIG    1        4.763   0.945   1.478  0.00  0.00    -0.298 NA
ATOM     21  C   LIG    1        3.964   2.030   2.064  0.00  0.00    +0.087 C 
ATOM     22  C   LIG    1        2.575   2.179   1.450  0.00  0.00    +0.047 C 
BRANCH  20  23
ATOM     23  C   LIG    1        5.242   1.291   0.127  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.306   0.347  -0.394  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1        7.512   0.179   0.304  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        8.498  -0.682  -0.181  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        8.291  -1.380  -1.369  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.098  -1.220  -2.072  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.111  -0.360  -1.589  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8