REMARK  Name = BDB061832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.880  -0.478   1.915  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1        1.736  -0.341   0.921  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.789  -0.890   2.653  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        0.883  -1.443   3.743  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.547  -0.666   2.033  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.592  -1.532   2.388  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -2.866  -1.355   1.814  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.102  -2.042   1.948  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -5.021  -1.415   1.140  0.00  0.00    +0.087 A 
ATOM     10  N   LIG    1       -4.386  -0.374   0.505  0.00  0.00    -0.342 N 
ATOM     11  C   LIG    1       -3.066  -0.308   0.909  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1       -2.034   0.579   0.561  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -0.774   0.384   1.139  0.00  0.00    +0.015 A 
BRANCH  10  14
ATOM     14  C   LIG    1       -5.048   0.550  -0.413  0.00  0.00    +0.157 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.627   0.349  -1.849  0.00  0.00    -0.025 A 
ATOM     16  C   LIG    1       -4.185   1.442  -2.610  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1       -3.814   1.264  -3.939  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -3.388   2.318  -4.648  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -3.882   0.015  -4.543  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -4.331  -1.077  -3.805  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -4.706  -0.910  -2.468  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   3   5
BRANCH   1  22
ATOM     22  C   LIG    1        3.214  -0.813   2.353  0.00  0.00    +0.140 C 
BRANCH  22  26
ATOM     23  C   LIG    1        6.142   1.839   0.551  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        5.613   0.781  -0.190  0.00  0.00    +0.035 A 
ATOM     25  C   LIG    1        4.649  -0.093   0.352  0.00  0.00    +0.061 A 
ATOM     26  C   LIG    1        4.245   0.076   1.695  0.00  0.00    -0.019 A 
ATOM     27  C   LIG    1        4.817   1.114   2.448  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        5.771   1.966   1.887  0.00  0.00    +0.023 A 
BRANCH  25  29
ATOM     29  C   LIG    1        4.072  -1.185  -0.518  0.00  0.00    +0.418 C 
ATOM     30  F   LIG    1        4.556  -1.188  -1.792  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        4.305  -2.433  -0.030  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        2.717  -1.074  -0.645  0.00  0.00    -0.166 F 
ENDBRANCH  25  29
BRANCH  23  33
ATOM     33  N   LIG    1        7.183   2.613   0.030  0.00  0.00    -0.358 N 
ATOM     34  H   LIG    1        7.299   3.513   0.485  0.00  0.00    +0.142 HD
ATOM     35  H   LIG    1        7.181   2.692  -0.982  0.00  0.00    +0.142 HD
ENDBRANCH  23  33
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 7