REMARK  Name = BDB050611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.265  -1.727   0.125  0.00  0.00    +0.016 C 
ATOM      2  C   LIG    1       -0.812  -0.927   0.152  0.00  0.00    -0.016 C 
ATOM      3  C   LIG    1       -2.206  -1.384   0.119  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -2.991  -0.214   0.167  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -4.374  -0.293   0.152  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -4.952  -1.559   0.088  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -4.177  -2.725   0.040  0.00  0.00    +0.039 A 
ATOM      8  F   LIG    1       -6.288  -1.666   0.073  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -2.111   0.965   0.229  0.00  0.00    -0.028 C 
ATOM     10  C   LIG    1       -2.782  -2.643   0.055  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -0.840   0.524   0.229  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        4.321  -0.368   0.205  0.00  0.00    -0.023 A 
ATOM     13  C   LIG    1        3.760  -1.015   1.316  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        2.436  -1.458   1.286  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        1.652  -1.256   0.146  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1        2.208  -0.614  -0.965  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        3.533  -0.171  -0.935  0.00  0.00    +0.006 A 
BRANCH  12  18
ATOM     18  C   LIG    1        5.749   0.117   0.251  0.00  0.00    +0.216 C 
BRANCH  18  21
ATOM     19  N   LIG    1        5.149   3.327   0.665  0.00  0.00    +0.068 NA
ATOM     20  N   LIG    1        5.533   2.292   0.950  0.00  0.00    -0.167 NA
ATOM     21  N   LIG    1        5.961   1.166   1.256  0.00  0.00    -0.105 NA
ENDBRANCH  18  21
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   9  22
ATOM     22  C   LIG    1       -2.593   2.372   0.317  0.00  0.00    +0.156 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.142   2.878  -1.002  0.00  0.00    +0.309 C 
ATOM     24  O   LIG    1       -3.057   2.368  -2.106  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.774   4.063  -0.855  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -4.062   4.286  -1.766  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   9  22
TORSDOF 6