REMARK  Name = BDB021452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.432  -0.387  -1.594  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.054   0.684  -1.212  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.805   1.740  -0.920  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -0.378   2.964  -0.267  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        0.748   3.611  -1.043  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        1.998   3.175  -0.543  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        2.347   1.872  -0.751  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        3.741   1.710  -0.592  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        4.374   0.472  -0.745  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1        3.587  -0.627  -1.073  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        2.204  -0.482  -1.217  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.547   0.762  -1.052  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -2.261   1.508  -1.025  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.832   0.754   0.196  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -2.514  -0.642   0.170  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1       -1.776  -0.765  -0.465  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1       -4.363   0.946   0.341  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -5.143   0.829  -0.910  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -5.252  -0.565  -1.390  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -6.238  -1.431  -0.634  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -7.300  -0.858   0.089  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -8.224  -1.684   0.742  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -8.108  -3.071   0.663  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -7.065  -3.643  -0.063  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.402   0.640   0.222  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -6.137  -2.828  -0.712  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -6.500   1.387  -0.772  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  C   LIG    1        5.874   0.343  -0.593  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1        6.275  -0.721   0.340  0.00  0.00    -0.295 NA
ATOM     30  C   LIG    1        7.690  -1.079   0.135  0.00  0.00    +0.121 C 
ATOM     31  C   LIG    1        8.284  -1.863   1.306  0.00  0.00    +0.180 C 
ATOM     32  F   LIG    1        9.578  -2.181   1.027  0.00  0.00    -0.244 F 
ATOM     33  C   LIG    1        8.250  -1.046   2.593  0.00  0.00    +0.039 C 
ATOM     34  C   LIG    1        7.148   0.014   2.583  0.00  0.00    +0.018 C 
ATOM     35  C   LIG    1        5.946  -0.418   1.743  0.00  0.00    +0.085 C 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7