REMARK  Name = BDB020946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.963   0.811  -1.109  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        2.387  -0.357  -0.401  0.00  0.00    +0.131 C 
ATOM      3  C   LIG    1        1.184  -0.919  -1.201  0.00  0.00    +0.119 C 
ATOM      4  N   LIG    1        0.183   0.140  -1.501  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -1.166  -0.107  -1.752  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.878   0.716  -2.326  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        0.725   1.415  -2.005  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1        1.961   1.903  -1.230  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.539   2.090   0.649  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        5.377   2.838   0.684  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        4.204   2.444   0.126  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1        4.159   1.249  -0.499  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        5.298   0.443  -0.584  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        6.496   0.864  -0.004  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  N   LIG    1        8.709   2.960   1.759  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        7.736   2.571   1.259  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   3  17
ATOM     17  C   LIG    1        1.666  -1.651  -2.480  0.00  0.00    +0.179 C 
BRANCH  17  18
ATOM     18  O   LIG    1        2.468  -0.852  -3.346  0.00  0.00    -0.393 OA
ATOM     19  H   LIG    1        2.901  -0.158  -2.805  0.00  0.00    +0.209 HD
ENDBRANCH  17  18
ENDBRANCH   3  17
BRANCH   5  20
ATOM     20  C   LIG    1       -1.719  -1.448  -1.287  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.244  -1.535  -1.384  0.00  0.00    +0.083 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.859  -1.226  -0.039  0.00  0.00    +0.111 A 
ATOM     23  N   LIG    1       -4.077  -2.301   0.781  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.883  -3.243   0.475  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -4.606  -2.190   2.042  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1       -4.795  -3.167   2.756  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -4.924  -0.822   2.481  0.00  0.00    +0.067 A 
ATOM     28  C   LIG    1       -4.659   0.217   1.582  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1       -4.949   1.528   1.968  0.00  0.00    +0.031 A 
ATOM     30  C   LIG    1       -5.492   1.789   3.229  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1       -5.745   0.735   4.102  0.00  0.00    +0.124 A 
ATOM     32  F   LIG    1       -6.265   0.992   5.309  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -5.467  -0.576   3.743  0.00  0.00    +0.053 A 
ATOM     34  N   LIG    1       -4.112  -0.008   0.310  0.00  0.00    -0.234 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7