REMARK  Name = BDB007960
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.533   0.621   0.671  0.00  0.00    -0.291 N 
ATOM      2  C   LIG    1       -0.692  -0.235  -0.032  0.00  0.00    +0.230 C 
ATOM      3  O   LIG    1       -0.721  -1.454   0.202  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -0.735   2.930   1.230  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -1.759   2.074   0.488  0.00  0.00    +0.070 C 
ATOM      6  C   LIG    1       -1.969   2.543  -0.949  0.00  0.00    +0.028 C 
ENDBRANCH   1   5
BRANCH   2   7
ATOM      7  C   LIG    1        0.251   0.265  -1.130  0.00  0.00    +0.180 C 
BRANCH   7   8
ATOM      8  N   LIG    1        1.347   1.090  -0.598  0.00  0.00    -0.294 NA
ATOM      9  C   LIG    1        2.222   0.385   0.346  0.00  0.00    +0.085 C 
ATOM     10  C   LIG    1        3.109  -0.681  -0.303  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1        3.931  -0.126  -1.472  0.00  0.00    +0.063 C 
ATOM     12  C   LIG    1        3.051   0.716  -2.412  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1        2.143   1.702  -1.670  0.00  0.00    +0.085 C 
BRANCH  11  14
ATOM     14  C   LIG    1        5.145   0.666  -0.972  0.00  0.00    +0.166 C 
ATOM     15  O   LIG    1        5.183   1.895  -1.024  0.00  0.00    -0.292 OA
BRANCH  14  16
ATOM     16  C   LIG    1        6.328  -0.057  -0.399  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        7.348   0.713   0.188  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        8.476   0.099   0.737  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        8.588  -1.284   0.699  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        9.668  -1.876   1.224  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        7.593  -2.064   0.121  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        6.461  -1.452  -0.430  0.00  0.00    +0.014 A 
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   7   8
ENDBRANCH   2   7
BRANCH   1  23
ATOM     23  C   LIG    1       -2.284   0.014   1.781  0.00  0.00    +0.182 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.595  -0.558   1.260  0.00  0.00    +0.127 A 
ATOM     25  N   LIG    1       -3.486  -1.696   0.506  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1       -2.564  -2.074   0.300  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -4.563  -2.303  -0.066  0.00  0.00    +0.257 A 
ATOM     28  O   LIG    1       -4.471  -3.302  -0.768  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -5.858  -1.666   0.228  0.00  0.00    +0.064 A 
ATOM     30  C   LIG    1       -7.092  -2.276  -0.351  0.00  0.00    +0.202 C 
ATOM     31  O   LIG    1       -8.233  -1.408  -0.238  0.00  0.00    -0.375 OA
ATOM     32  C   LIG    1       -8.341  -0.840   1.068  0.00  0.00    +0.166 C 
ATOM     33  C   LIG    1       -7.166   0.101   1.329  0.00  0.00    +0.084 C 
ATOM     34  C   LIG    1       -5.855  -0.562   0.993  0.00  0.00    +0.056 A 
ATOM     35  N   LIG    1       -4.726   0.020   1.518  0.00  0.00    -0.237 NA
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7