REMARK VINA RESULT: -8.5 4.327 6.906 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 -1.440 -1.342 6.545 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 0.461 -0.749 5.268 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -0.788 -5.443 5.883 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -0.085 -3.083 5.595 0.00 0.00 0.042 C ATOM 5 C UNL d 1 0.151 -4.489 5.465 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -2.012 -4.950 6.353 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -1.213 -2.634 6.279 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -2.167 -3.572 6.611 0.00 0.00 0.072 C ATOM 9 C UNL d 1 0.675 -2.054 5.010 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -0.563 -0.454 6.061 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -0.556 -6.805 5.772 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 0.744 -7.243 6.210 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 1.004 -8.759 6.103 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 2.236 -9.350 5.386 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 3.597 -8.889 5.743 0.00 0.00 0.092 N ATOM 16 C UNL d 1 4.667 -9.613 5.023 0.00 0.00 0.298 C ATOM 17 C UNL d 1 4.727 -11.109 5.368 0.00 0.00 0.198 C ATOM 18 O UNL d 1 4.930 -11.319 6.771 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 3.948 -10.635 7.562 0.00 0.00 0.198 C ATOM 20 C UNL d 1 3.867 -9.138 7.197 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 -3.164 -5.644 6.615 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -3.273 -6.267 7.883 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 1.579 -2.382 3.982 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 1.365 -1.932 3.109 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 2.430 -3.496 3.927 0.00 0.00 0.035 A ATOM 26 C UNL d 1 3.355 -3.775 4.947 0.00 0.00 0.056 A ATOM 27 C UNL d 1 4.208 -4.877 4.860 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 5.315 -5.193 6.141 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 4.158 -5.696 3.743 0.00 0.00 0.138 A ATOM 30 F UNL d 1 4.958 -6.768 3.641 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 3.279 -5.416 2.702 0.00 0.00 0.046 A ATOM 32 C UNL d 1 2.425 -4.315 2.789 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8