REMARK  Name = BDB018860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.114   0.128   0.523  0.00  0.00    +0.000 A 
ATOM      2  N   LIG    1        0.975  -0.203   1.259  0.00  0.00    +0.000 N 
ATOM      3  N   LIG    1        0.916  -1.485   1.584  0.00  0.00    +0.000 NA
ATOM      4  C   LIG    1       -0.208  -1.999   1.054  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.896  -1.012   0.374  0.00  0.00    +0.000 A 
ENDROOT
BRANCH   5   6
ATOM      6  B   LIG    1       -2.222  -1.242  -0.442  0.00  0.00    +0.000 B 
ATOM      7  O   LIG    1       -2.996  -2.442  -0.157  0.00  0.00    +0.000 OA
ATOM      8  C   LIG    1       -4.154  -1.891   0.413  0.00  0.00    +0.000 C 
ATOM      9  C   LIG    1       -5.330  -2.847   0.115  0.00  0.00    +0.000 C 
ATOM     10  C   LIG    1       -3.973  -1.869   1.958  0.00  0.00    +0.000 C 
ATOM     11  C   LIG    1       -4.306  -0.445  -0.249  0.00  0.00    +0.000 C 
ATOM     12  C   LIG    1       -5.310  -0.412  -1.425  0.00  0.00    +0.000 C 
ATOM     13  C   LIG    1       -4.720   0.661   0.747  0.00  0.00    +0.000 C 
ATOM     14  O   LIG    1       -3.055  -0.105  -0.798  0.00  0.00    +0.000 OA
ENDBRANCH   5   6
BRANCH   1  15
ATOM     15  C   LIG    1       -0.392   1.472  -0.022  0.00  0.00    +0.000 C 
ATOM     16  O   LIG    1       -1.557   1.948   0.035  0.00  0.00    +0.000 OA
BRANCH  15  17
ATOM     17  O   LIG    1        0.645   2.214  -0.591  0.00  0.00    +0.000 OA
BRANCH  17  19
ATOM     18  C   LIG    1        1.787   4.044  -1.649  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1        0.461   3.522  -1.119  0.00  0.00    +0.000 C 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   2  20
ATOM     20  C   LIG    1        2.053   0.672   1.723  0.00  0.00    +0.000 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.360   0.275   1.088  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.420  -0.199   1.877  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.632  -0.565   1.285  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.807  -0.466  -0.100  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.744   0.008  -0.893  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.532   0.374  -0.301  0.00  0.00    +0.000 A 
BRANCH  24  27
ATOM     27  O   LIG    1        7.042  -0.846  -0.646  0.00  0.00    +0.000 OA
ATOM     28  C   LIG    1        7.356  -0.797  -2.034  0.00  0.00    +0.000 C 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 7