REMARK  Name = BDB048334
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.469  -1.540   0.239  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        1.691  -1.041  -0.007  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        2.220  -1.232  -1.224  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        1.592  -1.905  -2.202  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        0.382  -2.413  -1.918  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -0.231  -2.260  -0.703  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -0.041  -1.336   1.531  0.00  0.00    -0.299 N 
ATOM      8  H   LIG    1        0.656  -0.796   2.041  0.00  0.00    +0.154 HD
BRANCH   7  11
ATOM      9  C   LIG    1       -3.491   0.145   1.465  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -2.214  -0.259   1.043  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -1.346  -0.947   1.904  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -1.763  -1.194   3.216  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -3.030  -0.801   3.644  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -3.893  -0.138   2.769  0.00  0.00    +0.023 A 
BRANCH   9  17
ATOM     15  O   LIG    1       -6.257   1.270   1.715  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.566   1.318   0.710  0.00  0.00    +0.220 C 
ATOM     17  N   LIG    1       -4.291   0.830   0.528  0.00  0.00    -0.285 N 
ATOM     18  H   LIG    1       -3.883   0.989  -0.384  0.00  0.00    +0.155 HD
BRANCH  16  19
ATOM     19  C   LIG    1       -6.098   2.003  -0.502  0.00  0.00    +0.075 C 
ATOM     20  C   LIG    1       -6.168   1.299  -1.839  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1       -7.429   1.574  -1.076  0.00  0.00    +0.013 C 
ENDBRANCH  16  19
ENDBRANCH   9  17
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  N   LIG    1        3.472  -0.735  -1.575  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1        3.668  -1.011  -2.527  0.00  0.00    +0.155 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.470  -0.034  -0.893  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        5.627   0.340  -1.597  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1        6.674   1.054  -0.986  0.00  0.00    +0.057 A 
ATOM     27  C   LIG    1        6.548   1.417   0.360  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        5.408   1.060   1.074  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        4.381   0.343   0.450  0.00  0.00    +0.023 A 
BRANCH  26  30
ATOM     30  C   LIG    1        7.890   1.454  -1.781  0.00  0.00    +0.417 C 
ATOM     31  F   LIG    1        9.011   1.589  -1.019  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        8.210   0.555  -2.754  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        7.724   2.647  -2.416  0.00  0.00    -0.166 F 
ENDBRANCH  26  30
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 7