REMARK VINA RESULT: -8.0 0.000 0.000 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 -14.653 22.175 -24.470 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -17.018 22.160 -24.399 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -14.629 21.654 -28.643 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -15.879 21.966 -26.525 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -15.829 21.876 -27.952 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -13.489 21.433 -27.858 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -14.694 21.974 -25.793 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -13.530 21.673 -26.469 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -17.040 21.958 -25.730 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -15.824 22.303 -23.834 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -14.575 21.580 -30.026 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -15.450 20.604 -30.622 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -16.099 21.023 -31.957 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -17.582 20.752 -32.289 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -18.588 21.825 -32.124 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -18.923 22.098 -30.709 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -19.590 20.910 -30.000 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -20.798 20.512 -30.662 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -20.582 20.242 -32.053 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -19.886 21.424 -32.760 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 -12.257 20.986 -28.255 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -11.208 21.038 -27.303 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -18.255 21.550 -26.314 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -18.506 22.091 -27.123 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -19.280 20.811 -25.706 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -20.301 21.428 -24.963 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -21.298 20.670 -24.347 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -22.541 21.467 -23.461 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -21.271 19.287 -24.449 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -22.224 18.537 -23.877 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -20.247 18.652 -25.145 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -19.250 19.410 -25.762 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8