REMARK  Name = BDB035340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.276   0.372  -0.351  0.00  0.00    +0.240 C 
ATOM      2  N   LIG    1        0.542   0.748  -1.413  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        1.917   0.859  -1.370  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        2.433   1.201  -2.671  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        3.743   1.333  -2.901  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        4.700   1.139  -1.773  0.00  0.00    +0.252 A 
ATOM      7  N   LIG    1        4.139   0.837  -0.531  0.00  0.00    -0.309 N 
ATOM      8  O   LIG    1        5.903   1.263  -1.991  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        1.296   1.361  -3.621  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1        2.765   0.696  -0.348  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1        0.087   0.904  -2.805  0.00  0.00    +0.118 C 
ATOM     12  O   LIG    1        0.151   0.094   0.775  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -1.808   0.386  -0.607  0.00  0.00    +0.162 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.383   1.809  -0.410  0.00  0.00    +0.018 C 
ATOM     15  C   LIG    1       -3.803   1.912  -1.009  0.00  0.00    +0.006 C 
ATOM     16  C   LIG    1       -4.635   3.061  -0.433  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -3.765   4.210   0.053  0.00  0.00    +0.000 C 
ATOM     18  C   LIG    1       -2.802   3.765   1.154  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1       -2.384   2.295   1.048  0.00  0.00    +0.006 C 
ENDBRANCH  13  14
BRANCH  13  21
ATOM     20  C   LIG    1       -2.599  -1.903  -0.111  0.00  0.00    +0.230 C 
ATOM     21  N   LIG    1       -2.432  -0.589   0.277  0.00  0.00    -0.302 N 
ATOM     22  H   LIG    1       -2.292  -0.486   1.281  0.00  0.00    +0.150 HD
ATOM     23  O   LIG    1       -2.469  -2.275  -1.274  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1       -2.898  -2.866   1.068  0.00  0.00    +0.137 C 
ATOM     25  C   LIG    1       -3.817  -3.991   0.595  0.00  0.00    +0.034 C 
BRANCH  24  27
ATOM     26  C   LIG    1       -3.443  -2.842   3.452  0.00  0.00    +0.101 C 
ATOM     27  N   LIG    1       -3.466  -2.095   2.203  0.00  0.00    -0.309 NA
ATOM     28  H   LIG    1       -4.428  -1.838   1.975  0.00  0.00    +0.122 HD
ENDBRANCH  24  27
ENDBRANCH  20  24
ENDBRANCH  13  21
ENDBRANCH   1  13
BRANCH   7  29
ATOM     29  C   LIG    1        5.032   0.608   0.602  0.00  0.00    +0.160 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.340  -0.860   0.805  0.00  0.00    -0.027 A 
ATOM     31  C   LIG    1        4.600  -1.628   1.720  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1        4.878  -2.985   1.889  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1        5.889  -3.577   1.142  0.00  0.00    +0.123 A 
ATOM     34  F   LIG    1        6.152  -4.881   1.305  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1        6.627  -2.839   0.226  0.00  0.00    +0.038 A 
ATOM     36  C   LIG    1        6.352  -1.482   0.055  0.00  0.00    +0.008 A 
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 7