REMARK  Name = BDB004096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.334  -0.754  -0.393  0.00  0.00    +0.030 C 
ATOM      2  C   LIG    1        2.389  -2.204  -0.333  0.00  0.00    +0.019 C 
ATOM      3  C   LIG    1        1.298  -2.942  -0.081  0.00  0.00    -0.024 C 
ATOM      4  C   LIG    1       -0.044  -2.311   0.143  0.00  0.00    +0.038 C 
ATOM      5  C   LIG    1       -0.191  -0.893  -0.471  0.00  0.00    +0.063 C 
ATOM      6  C   LIG    1        1.139  -0.145  -0.473  0.00  0.00    +0.004 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.331  -0.091   0.231  0.00  0.00    +0.193 C 
ATOM      8  C   LIG    1       -1.589   1.238  -0.492  0.00  0.00    +0.257 C 
ATOM      9  O   LIG    1       -1.486   1.376  -1.711  0.00  0.00    -0.272 OA
ATOM     10  N   LIG    1       -2.036   2.289   0.280  0.00  0.00    -0.254 N 
ATOM     11  H   LIG    1       -2.015   3.163  -0.233  0.00  0.00    +0.158 HD
ATOM     12  C   LIG    1       -3.131   2.293   1.108  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -3.750   3.345   1.276  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -3.593   1.005   1.753  0.00  0.00    +0.096 C 
ATOM     15  C   LIG    1       -3.881  -0.078   0.724  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -2.650  -0.882   0.294  0.00  0.00    +0.051 C 
ATOM     17  F   LIG    1       -0.935   0.127   1.528  0.00  0.00    -0.231 F 
ENDBRANCH   5   7
BRANCH   1  20
ATOM     18  C   LIG    1        5.288   1.553  -0.416  0.00  0.00    +0.109 C 
ATOM     19  C   LIG    1        3.809   1.253  -0.404  0.00  0.00    +0.214 C 
ATOM     20  N   LIG    1        3.551  -0.108  -0.401  0.00  0.00    -0.286 N 
ATOM     21  H   LIG    1        4.365  -0.708  -0.356  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        2.987   2.162  -0.370  0.00  0.00    -0.276 OA
ENDBRANCH   1  20
TORSDOF 2