REMARK VINA RESULT: -7.3 2.227 2.924 REMARK 8 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_4 and C_16 REMARK 2 A between atoms: O_4 and C_17 REMARK 3 A between atoms: O_5 and C_20 REMARK 4 A between atoms: N_6 and C_10 REMARK 5 A between atoms: N_7 and C_23 REMARK 6 A between atoms: N_7 and C_24 REMARK 7 A between atoms: C_10 and C_13 REMARK 8 A between atoms: C_13 and C_16 ROOT ATOM 1 N UNL d 1 -2.103 -3.455 -2.146 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -0.772 -2.412 -0.490 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -5.659 -2.344 -0.196 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -3.184 -2.303 -0.336 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -4.416 -1.871 0.250 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -5.631 -3.333 -1.187 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -3.207 -3.109 -1.472 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -4.424 -3.635 -1.851 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -1.893 -2.073 0.174 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -0.929 -3.051 -1.644 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -6.854 -1.916 0.361 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -6.882 -1.879 1.800 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -6.990 -3.251 2.496 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -5.763 -4.141 2.789 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -5.767 -5.567 2.390 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -5.444 -6.485 3.504 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -4.020 -6.301 4.050 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -3.033 -6.496 3.028 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -3.273 -5.659 1.888 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -4.712 -5.822 1.356 0.00 0.00 0.298 C ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 3 11 BRANCH 6 21 ATOM 21 O UNL d 1 -6.663 -4.111 -1.641 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -6.584 -5.505 -1.396 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -1.762 -1.631 1.505 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -1.483 -0.668 1.576 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -1.584 -2.426 2.646 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -0.590 -3.417 2.714 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -0.446 -4.212 3.853 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 0.797 -5.402 3.902 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -1.310 -4.038 4.924 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -1.185 -4.781 6.034 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -2.328 -3.091 4.863 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -2.470 -2.295 3.725 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8