REMARK VINA RESULT: -4.3 3.657 7.474 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 33.522 7.924 34.248 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 32.473 8.371 32.175 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 37.291 7.532 32.425 0.00 0.00 0.103 C ATOM 4 C UNL d 1 34.866 8.020 32.260 0.00 0.00 0.042 C ATOM 5 C UNL d 1 36.178 7.965 31.690 0.00 0.00 0.057 C ATOM 6 C UNL d 1 37.040 7.069 33.723 0.00 0.00 0.103 C ATOM 7 C UNL d 1 34.695 7.774 33.620 0.00 0.00 0.075 C ATOM 8 C UNL d 1 35.775 7.271 34.314 0.00 0.00 0.072 C ATOM 9 C UNL d 1 33.661 8.216 31.559 0.00 0.00 0.142 C ATOM 10 C UNL d 1 32.465 8.260 33.499 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 38.565 7.491 31.880 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 38.886 8.577 30.989 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 39.228 8.168 29.542 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 38.821 6.808 28.936 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 38.495 6.704 27.496 0.00 0.00 0.092 N ATOM 16 C UNL d 1 37.230 7.379 27.134 0.00 0.00 0.298 C ATOM 17 C UNL d 1 35.993 6.752 27.797 0.00 0.00 0.198 C ATOM 18 O UNL d 1 35.858 5.366 27.455 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 37.049 4.624 27.751 0.00 0.00 0.198 C ATOM 20 C UNL d 1 38.295 5.269 27.110 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 37.888 6.401 34.566 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 38.332 7.090 35.722 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 33.663 8.072 30.159 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 34.263 8.732 29.694 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 32.689 7.441 29.371 0.00 0.00 0.035 A ATOM 26 C UNL d 1 31.506 8.096 28.989 0.00 0.00 0.056 A ATOM 27 C UNL d 1 30.539 7.440 28.223 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 29.111 8.283 27.760 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 30.737 6.118 27.854 0.00 0.00 0.138 A ATOM 30 F UNL d 1 29.830 5.470 27.110 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 31.882 5.437 28.257 0.00 0.00 0.046 A ATOM 32 C UNL d 1 32.850 6.094 29.020 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8