REMARK VINA RESULT: -4.9 1.860 2.230 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 38.056 -42.127 -45.621 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 36.520 -40.876 -44.326 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 40.786 -38.931 -45.739 0.00 0.00 0.103 C ATOM 4 C UNL d 1 38.642 -39.895 -44.952 0.00 0.00 0.042 C ATOM 5 C UNL d 1 39.634 -38.863 -44.943 0.00 0.00 0.057 C ATOM 6 C UNL d 1 40.876 -40.020 -46.616 0.00 0.00 0.103 C ATOM 7 C UNL d 1 38.879 -41.071 -45.661 0.00 0.00 0.075 C ATOM 8 C UNL d 1 39.970 -41.095 -46.503 0.00 0.00 0.072 C ATOM 9 C UNL d 1 37.361 -39.823 -44.377 0.00 0.00 0.142 C ATOM 10 C UNL d 1 36.927 -41.995 -44.914 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 41.755 -37.939 -45.722 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 41.633 -36.944 -46.755 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 40.192 -36.510 -47.091 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 39.536 -35.246 -46.495 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 39.025 -34.182 -47.388 0.00 0.00 0.092 N ATOM 16 C UNL d 1 40.092 -33.318 -47.938 0.00 0.00 0.298 C ATOM 17 C UNL d 1 40.837 -32.513 -46.863 0.00 0.00 0.198 C ATOM 18 O UNL d 1 39.943 -31.676 -46.117 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 38.855 -32.423 -45.556 0.00 0.00 0.198 C ATOM 20 C UNL d 1 38.123 -33.254 -46.631 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 41.765 -40.217 -47.639 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 41.302 -39.985 -48.958 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 36.861 -38.563 -43.995 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 36.672 -38.496 -43.010 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 36.254 -37.607 -44.822 0.00 0.00 0.035 A ATOM 26 C UNL d 1 36.612 -37.459 -46.173 0.00 0.00 0.056 A ATOM 27 C UNL d 1 36.010 -36.485 -46.972 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 36.465 -36.349 -48.627 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 35.062 -35.636 -46.421 0.00 0.00 0.138 A ATOM 30 F UNL d 1 34.461 -34.700 -47.170 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 34.722 -35.737 -45.075 0.00 0.00 0.046 A ATOM 32 C UNL d 1 35.323 -36.712 -44.277 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8