REMARK  Name = BDB046585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.493   1.890   0.988  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        2.705   1.249   0.858  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        2.837   0.606   0.089  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.335   2.896   1.671  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -1.828   0.318  -1.246  0.00  0.00    -0.047 A 
ATOM      6  C   LIG    1       -1.768   1.673  -0.898  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -0.685   2.170  -0.169  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        0.357   1.318   0.213  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        0.295  -0.041  -0.118  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.791  -0.536  -0.845  0.00  0.00    +0.004 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -3.014  -0.226  -2.012  0.00  0.00    +0.049 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.087  -0.827  -1.090  0.00  0.00    +0.102 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.861   0.263  -0.368  0.00  0.00    +0.310 C 
ATOM     14  O   LIG    1       -5.136   1.357  -0.842  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.236  -0.174   0.867  0.00  0.00    -0.465 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -7.462   0.649   1.341  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1       -5.983   0.760   1.660  0.00  0.00    +0.229 C 
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH  12  13
BRANCH  12  18
ATOM     18  C   LIG    1       -5.066  -1.754  -1.830  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1       -5.782  -1.121  -3.017  0.00  0.00    +0.004 C 
ENDBRANCH  12  18
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  20
ATOM     20  C   LIG    1        3.889   1.806   1.467  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.045   0.849   1.351  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        5.172  -0.219   2.246  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        6.230  -1.122   2.121  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        7.175  -0.982   1.100  0.00  0.00    +0.130 A 
ATOM     25  C   LIG    1        7.046   0.077   0.200  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        5.987   0.983   0.323  0.00  0.00    +0.009 A 
BRANCH  24  27
ATOM     27  O   LIG    1        8.151  -1.936   1.101  0.00  0.00    -0.406 OA
BRANCH  27  28
ATOM     28  C   LIG    1        9.148  -1.861   0.097  0.00  0.00    +0.575 C 
ATOM     29  F   LIG    1        9.842  -0.706   0.181  0.00  0.00    -0.133 F 
ATOM     30  F   LIG    1       10.014  -2.884   0.269  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1        8.608  -1.973  -1.136  0.00  0.00    -0.133 F 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 11