REMARK  Name = BDB042650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.451  -0.206   0.010  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        3.318  -1.417  -0.857  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1        2.641  -2.585  -0.083  0.00  0.00    +0.094 C 
ATOM      4  N   LIG    1        1.345  -2.126   0.401  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1        1.654  -1.187   1.472  0.00  0.00    +0.094 C 
ATOM      6  C   LIG    1        2.719  -1.958   2.266  0.00  0.00    +0.026 C 
ATOM      7  C   LIG    1        0.238  -2.118  -0.419  0.00  0.00    +0.216 C 
ATOM      8  O   LIG    1        0.241  -2.660  -1.522  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1        3.384  -2.881   1.227  0.00  0.00    +0.026 C 
ATOM     10  C   LIG    1        2.264   0.107   0.850  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        5.299   3.006  -1.937  0.00  0.00    +0.070 A 
ATOM     12  C   LIG    1        5.016   1.803  -2.554  0.00  0.00    +0.131 A 
ATOM     13  N   LIG    1        4.416   0.758  -1.933  0.00  0.00    -0.239 NA
ATOM     14  C   LIG    1        4.053   0.881  -0.637  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        4.328   2.066   0.052  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        4.949   3.136  -0.600  0.00  0.00    +0.024 A 
BRANCH  11  18
ATOM     17  N   LIG    1        6.449   4.928  -3.232  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1        5.934   4.065  -2.652  0.00  0.00    +0.101 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   7  19
ATOM     19  C   LIG    1       -0.991  -1.423   0.136  0.00  0.00    +0.102 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.196  -1.584  -0.793  0.00  0.00    +0.062 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.407  -0.854  -0.268  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1       -4.040  -1.395   0.828  0.00  0.00    -0.326 N 
ATOM     23  H   LIG    1       -3.700  -2.257   1.238  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1       -5.158  -0.868   1.437  0.00  0.00    +0.257 A 
ATOM     25  O   LIG    1       -5.669  -1.395   2.417  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1       -5.705   0.375   0.843  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.066   0.926  -0.281  0.00  0.00    -0.011 A 
ATOM     28  C   LIG    1       -5.575   2.098  -0.851  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1       -6.707   2.705  -0.301  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -7.324   2.143   0.814  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1       -8.406   2.736   1.333  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -6.836   0.981   1.395  0.00  0.00    +0.052 A 
ATOM     33  C   LIG    1       -3.881   0.268  -0.836  0.00  0.00    +0.030 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 5