REMARK VINA RESULT: -4.3 3.282 5.756 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 29.848 8.252 29.109 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 31.114 8.257 27.110 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 33.256 9.045 31.442 0.00 0.00 0.103 C ATOM 4 C UNL d 1 32.203 8.710 29.222 0.00 0.00 0.042 C ATOM 5 C UNL d 1 33.323 9.064 30.042 0.00 0.00 0.057 C ATOM 6 C UNL d 1 32.062 8.573 32.004 0.00 0.00 0.103 C ATOM 7 C UNL d 1 30.965 8.471 29.814 0.00 0.00 0.075 C ATOM 8 C UNL d 1 30.928 8.373 31.189 0.00 0.00 0.072 C ATOM 9 C UNL d 1 32.228 8.477 27.835 0.00 0.00 0.142 C ATOM 10 C UNL d 1 29.967 8.199 27.777 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 34.333 9.402 32.238 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 35.307 8.363 32.453 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 35.131 7.548 33.750 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 34.774 6.046 33.756 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 33.367 5.617 33.592 0.00 0.00 0.092 N ATOM 16 C UNL d 1 33.094 4.282 34.167 0.00 0.00 0.298 C ATOM 17 C UNL d 1 33.865 3.150 33.472 0.00 0.00 0.198 C ATOM 18 O UNL d 1 33.563 3.088 32.071 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 33.778 4.349 31.423 0.00 0.00 0.198 C ATOM 20 C UNL d 1 33.026 5.492 32.137 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 31.807 8.249 33.309 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 31.863 9.297 34.263 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 33.473 8.291 27.203 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 33.595 8.872 26.392 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 34.323 7.182 27.320 0.00 0.00 0.035 A ATOM 26 C UNL d 1 35.721 7.319 27.353 0.00 0.00 0.056 A ATOM 27 C UNL d 1 36.550 6.199 27.446 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 38.258 6.411 27.502 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 35.988 4.931 27.484 0.00 0.00 0.138 A ATOM 30 F UNL d 1 36.761 3.840 27.586 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 34.608 4.770 27.411 0.00 0.00 0.046 A ATOM 32 C UNL d 1 33.780 5.890 27.320 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8