REMARK  Name = BDB021868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.860   0.357   1.046  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        2.159  -0.154   0.916  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.326  -1.087  -0.080  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1        1.501  -1.546  -0.432  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        3.073   0.220   1.649  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.532  -1.673  -0.524  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1        3.427  -2.747  -1.415  0.00  0.00    +0.148 A 
ATOM      8  F   LIG    1        2.210  -3.172  -1.793  0.00  0.00    -0.203 F 
ATOM      9  C   LIG    1        4.552  -3.390  -1.921  0.00  0.00    +0.085 A 
ATOM     10  C   LIG    1        5.824  -2.963  -1.543  0.00  0.00    +0.123 A 
ATOM     11  C   LIG    1        5.947  -1.888  -0.660  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        4.806  -1.244  -0.155  0.00  0.00    +0.030 A 
BRANCH  10  13
ATOM     13  O   LIG    1        6.854  -3.668  -2.101  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        8.172  -3.282  -1.731  0.00  0.00    +0.277 C 
ENDBRANCH  10  13
ENDBRANCH   3   6
BRANCH   1  18
ATOM     15  N   LIG    1       -3.092  -0.582  -0.398  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1       -2.139  -1.683  -0.220  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -0.992  -1.270   0.702  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -0.288  -0.011   0.177  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1       -1.325   1.096  -0.054  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -2.445   0.604  -0.972  0.00  0.00    +0.086 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.325  -1.009  -1.087  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1       -4.160  -1.211  -2.602  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -5.519  -0.058  -0.821  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -5.114   0.876   1.544  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -5.986   0.020   0.639  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   1  26
ATOM     26  C   LIG    1        0.610   1.201   2.225  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1        0.614   2.689   1.940  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -0.420   3.501   2.433  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -0.421   4.877   2.195  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        0.617   5.461   1.474  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        1.660   4.671   0.995  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.661   3.295   1.231  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 8