REMARK  Name = BDB042551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.085   1.157  -2.195  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.395   1.475  -1.225  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.940   1.099  -1.118  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.895   1.712  -0.193  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -2.897   0.687   0.341  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1       -3.467  -0.162  -0.765  0.00  0.00    -0.041 C 
ATOM      7  C   LIG    1       -2.814  -0.273  -1.937  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1       -1.508   0.391  -2.262  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -4.738  -0.874  -0.516  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -5.759  -0.880  -1.476  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -6.957  -1.541  -1.219  0.00  0.00    +0.124 A 
ATOM     12  F   LIG    1       -7.923  -1.535  -2.147  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -7.170  -2.203  -0.017  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -6.167  -2.202   0.949  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -4.960  -1.539   0.700  0.00  0.00    +0.008 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1        0.980   2.291  -0.081  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.484   2.547  -0.226  0.00  0.00    +0.062 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.334   1.348   0.127  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1        3.333   0.298  -0.763  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        2.751   0.357  -1.603  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        4.050  -0.869  -0.617  0.00  0.00    +0.257 A 
ATOM     22  O   LIG    1        4.003  -1.779  -1.437  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        4.892  -0.970   0.600  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        4.903   0.103   1.507  0.00  0.00    -0.011 A 
ATOM     25  C   LIG    1        5.694   0.017   2.658  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        6.460  -1.128   2.893  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        6.433  -2.179   1.981  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1        7.172  -3.271   2.218  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        5.656  -2.115   0.833  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1        4.090   1.291   1.236  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4