REMARK VINA RESULT: -5.8 4.704 8.966 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 34.530 2.825 -40.294 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 32.631 4.130 -40.831 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 33.598 -0.014 -43.252 0.00 0.00 0.103 C ATOM 4 C UNL d 1 33.103 2.120 -42.093 0.00 0.00 0.042 C ATOM 5 C UNL d 1 32.868 1.178 -43.144 0.00 0.00 0.057 C ATOM 6 C UNL d 1 34.510 -0.283 -42.223 0.00 0.00 0.103 C ATOM 7 C UNL d 1 34.175 1.930 -41.224 0.00 0.00 0.075 C ATOM 8 C UNL d 1 34.832 0.719 -41.285 0.00 0.00 0.072 C ATOM 9 C UNL d 1 32.289 3.219 -41.763 0.00 0.00 0.142 C ATOM 10 C UNL d 1 33.762 3.914 -40.168 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 33.383 -0.922 -44.278 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 34.497 -1.115 -45.169 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 35.369 0.132 -45.421 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 36.524 0.154 -46.445 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 36.318 0.748 -47.785 0.00 0.00 0.092 N ATOM 16 C UNL d 1 35.208 0.124 -48.536 0.00 0.00 0.298 C ATOM 17 C UNL d 1 35.453 -1.356 -48.867 0.00 0.00 0.198 C ATOM 18 O UNL d 1 36.650 -1.533 -49.637 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 37.788 -0.940 -48.998 0.00 0.00 0.198 C ATOM 20 C UNL d 1 37.533 0.539 -48.640 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 35.182 -1.448 -41.966 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 36.590 -1.437 -42.130 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 30.987 3.280 -42.295 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 30.677 2.405 -42.682 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 30.288 4.429 -42.692 0.00 0.00 0.035 A ATOM 26 C UNL d 1 30.646 5.710 -42.238 0.00 0.00 0.056 A ATOM 27 C UNL d 1 29.921 6.838 -42.628 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 30.404 8.391 -42.064 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 28.818 6.691 -43.456 0.00 0.00 0.138 A ATOM 30 F UNL d 1 28.112 7.760 -43.854 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 28.420 5.429 -43.884 0.00 0.00 0.046 A ATOM 32 C UNL d 1 29.146 4.301 -43.496 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8