REMARK  Name = BDB065241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.637  -0.223   1.088  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        3.902  -1.059   0.234  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        2.621  -0.669  -0.159  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1        2.056   0.550   0.292  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        2.788   1.366   1.163  0.00  0.00    +0.081 A 
ATOM      6  N   LIG    1        2.310   2.513   1.650  0.00  0.00    -0.218 NA
ATOM      7  C   LIG    1        1.069   2.854   1.272  0.00  0.00    +0.234 A 
ATOM      8  N   LIG    1        0.278   2.165   0.437  0.00  0.00    -0.203 NA
ATOM      9  C   LIG    1        0.775   1.022  -0.060  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1        4.065   0.971   1.541  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        6.665   0.152   2.302  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        5.893  -0.660   1.428  0.00  0.00    -0.491 OA
ENDBRANCH   1  12
BRANCH   2  13
ATOM     13  O   LIG    1        4.520  -2.216  -0.164  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1        3.753  -3.157  -0.902  0.00  0.00    +0.277 C 
ENDBRANCH   2  13
BRANCH   7  15
ATOM     15  C   LIG    1        0.538   4.083   1.802  0.00  0.00    +0.140 C 
ATOM     16  N   LIG    1        0.108   5.078   2.225  0.00  0.00    -0.188 NA
ENDBRANCH   7  15
BRANCH   9  17
ATOM     17  N   LIG    1       -0.016   0.267  -0.952  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1        0.512   0.139  -1.813  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.363   0.769  -1.233  0.00  0.00    +0.106 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.356   0.403  -0.114  0.00  0.00    +0.008 C 
ATOM     21  C   LIG    1       -3.682   1.152  -0.339  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1       -4.845   0.443   0.350  0.00  0.00    +0.084 C 
ATOM     23  N   LIG    1       -5.059  -0.927  -0.133  0.00  0.00    -0.305 NA
ATOM     24  C   LIG    1       -6.198  -1.020  -1.042  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1       -3.866  -1.546  -0.725  0.00  0.00    +0.084 C 
ATOM     26  C   LIG    1       -2.587  -1.119  -0.008  0.00  0.00    +0.020 C 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   9  17
TORSDOF 6