REMARK VINA RESULT: -5.8 3.784 6.473 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 35.996 -0.236 -46.863 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 36.976 -0.177 -44.710 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 32.152 -0.816 -45.259 0.00 0.00 0.103 C ATOM 4 C UNL d 1 34.581 -0.436 -44.933 0.00 0.00 0.042 C ATOM 5 C UNL d 1 33.247 -0.547 -44.425 0.00 0.00 0.057 C ATOM 6 C UNL d 1 32.441 -1.060 -46.608 0.00 0.00 0.103 C ATOM 7 C UNL d 1 34.797 -0.454 -46.309 0.00 0.00 0.075 C ATOM 8 C UNL d 1 33.732 -0.800 -47.113 0.00 0.00 0.072 C ATOM 9 C UNL d 1 35.761 -0.397 -44.170 0.00 0.00 0.142 C ATOM 10 C UNL d 1 37.031 -0.063 -46.032 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 30.858 -0.909 -44.772 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 30.166 0.345 -44.625 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 30.969 1.469 -43.940 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 30.527 2.948 -43.960 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 29.667 3.481 -42.880 0.00 0.00 0.092 N ATOM 16 C UNL d 1 29.273 4.891 -43.090 0.00 0.00 0.298 C ATOM 17 C UNL d 1 30.461 5.865 -43.073 0.00 0.00 0.198 C ATOM 18 O UNL d 1 31.182 5.796 -41.836 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 31.593 4.456 -41.531 0.00 0.00 0.198 C ATOM 20 C UNL d 1 30.405 3.473 -41.574 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 31.610 -1.550 -47.580 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 32.015 -1.384 -48.928 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 35.703 -0.775 -42.814 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 35.661 -1.771 -42.684 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 35.308 0.022 -41.730 0.00 0.00 0.035 A ATOM 26 C UNL d 1 35.675 -0.287 -40.409 0.00 0.00 0.056 A ATOM 27 C UNL d 1 35.251 0.508 -39.343 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 35.738 0.106 -37.741 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 34.437 1.605 -39.585 0.00 0.00 0.138 A ATOM 30 F UNL d 1 34.027 2.391 -38.580 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 34.027 1.905 -40.881 0.00 0.00 0.046 A ATOM 32 C UNL d 1 34.453 1.111 -41.947 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8