REMARK  Name = BDB045571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.628  -0.687   0.135  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1       -1.298  -1.864   0.378  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1       -0.870  -2.745   0.616  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -2.648  -1.641   0.278  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -2.754  -0.288  -0.028  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -4.035   0.274  -0.202  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -5.158  -0.562  -0.056  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -5.013  -1.916   0.255  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -3.748  -2.487   0.429  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.496   0.281  -0.104  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        3.633  -0.184   0.246  0.00  0.00    +0.162 A 
ATOM     12  C   LIG    1        2.776   0.930   0.340  0.00  0.00    +0.162 A 
ATOM     13  C   LIG    1        1.389   0.740   0.299  0.00  0.00    +0.061 A 
ATOM     14  C   LIG    1        0.832  -0.542   0.170  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        1.696  -1.639   0.070  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        3.084  -1.462   0.109  0.00  0.00    +0.050 A 
BRANCH  11  18
ATOM     17  C   LIG    1        5.875  -1.014   0.180  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        4.978   0.082   0.295  0.00  0.00    -0.491 OA
ENDBRANCH  11  18
BRANCH  12  19
ATOM     19  O   LIG    1        3.389   2.152   0.472  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1        2.559   3.302   0.545  0.00  0.00    +0.277 C 
ENDBRANCH  12  19
ENDBRANCH   1  14
BRANCH   6  21
ATOM     21  C   LIG    1       -4.231   1.704  -0.534  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1       -5.351   2.182  -0.675  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1       -3.115   2.475  -0.682  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -2.184   2.074  -0.585  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -3.219   3.448  -0.929  0.00  0.00    +0.145 HD
ENDBRANCH   6  21
TORSDOF 4