REMARK  Name = BDB042471
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.535  -1.920   0.171  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -1.990  -3.288   0.154  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.562  -3.301  -0.443  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.497  -2.807  -1.829  0.00  0.00    -0.299 NA
ATOM      5  C   LIG    1       -1.508  -1.771  -2.103  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -2.034  -1.001  -0.866  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -4.748   0.221   2.277  0.00  0.00    +0.061 A 
ATOM      8  C   LIG    1       -3.758  -0.180   1.362  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -3.514  -1.534   1.071  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -4.312  -2.474   1.746  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -5.302  -2.092   2.658  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -5.520  -0.746   2.924  0.00  0.00    +0.015 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -5.008   1.651   2.594  0.00  0.00    +0.339 C 
ATOM     14  O   LIG    1       -5.845   2.020   3.404  0.00  0.00    -0.245 OA
BRANCH  13  16
ATOM     15  C   LIG    1       -4.396   3.855   2.121  0.00  0.00    +0.280 C 
ATOM     16  O   LIG    1       -4.200   2.464   1.867  0.00  0.00    -0.464 OA
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   4  17
ATOM     17  C   LIG    1        0.859  -2.477  -2.272  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.484  -1.208  -1.673  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.901  -0.992  -2.218  0.00  0.00    +0.054 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.541   0.249  -1.648  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1        3.089   1.459  -2.123  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1        2.357   1.490  -2.822  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1        3.558   2.692  -1.723  0.00  0.00    +0.257 A 
ATOM     24  O   LIG    1        3.108   3.734  -2.183  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        4.637   2.686  -0.707  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        5.106   1.452  -0.227  0.00  0.00    -0.011 A 
ATOM     27  C   LIG    1        6.126   1.435   0.732  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        6.663   2.637   1.199  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        6.182   3.849   0.708  0.00  0.00    +0.124 A 
ATOM     30  F   LIG    1        6.706   4.994   1.164  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        5.172   3.889  -0.242  0.00  0.00    +0.052 A 
ATOM     32  C   LIG    1        4.524   0.207  -0.733  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 7