REMARK  Name = BDB052836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.609  -0.306   0.955  0.00  0.00    +0.123 A 
ATOM      2  N   LIG    1       -1.200  -1.489   0.486  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -0.240  -2.511   0.529  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        0.959  -1.952   0.982  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        2.101  -2.774   1.110  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        2.019  -4.135   0.812  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.813  -4.689   0.407  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.330  -3.896   0.272  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.720  -0.574   1.250  0.00  0.00    +0.085 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.688   0.390   1.752  0.00  0.00    +0.251 C 
ATOM     11  N   LIG    1        2.703   0.791   0.876  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.552   0.720  -0.582  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        3.902   0.801  -1.316  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.721   1.953  -0.896  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        4.204   2.807  -1.106  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.926   1.883   0.562  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        3.610   1.833   1.356  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        1.621   0.799   2.911  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.550  -1.646   0.032  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -3.602  -0.991   0.684  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.915  -1.143   0.230  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.185  -1.942  -0.878  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.143  -2.589  -1.539  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.829  -2.442  -1.088  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  26
ATOM     25  C   LIG    1       -1.323   1.560   2.312  0.00  0.00    +0.137 C 
ATOM     26  N   LIG    1       -1.279   0.895   1.000  0.00  0.00    -0.289 N 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.440   1.728  -0.146  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1       -1.089   1.280  -1.436  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -1.249   2.082  -2.573  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -1.772   3.362  -2.453  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.139   3.834  -1.199  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -1.978   3.025  -0.066  0.00  0.00    +0.023 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 4