REMARK VINA RESULT: -8.0 1.231 2.519 REMARK 9 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_7 REMARK 2 A between atoms: O_1 and C_11 REMARK 3 A between atoms: O_2 and C_13 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_6 REMARK 6 A between atoms: C_5 and C_7 REMARK 7 A between atoms: C_8 and C_11 REMARK 8 A between atoms: C_9 and C_16 REMARK 9 A between atoms: C_13 and C_14 ROOT ATOM 1 C UNL d 1 5.267 2.798 3.032 0.00 0.00 0.055 A ATOM 2 C UNL d 1 5.010 3.168 4.362 0.00 0.00 0.055 A ATOM 3 C UNL d 1 4.847 1.546 2.559 0.00 0.00 0.018 A ATOM 4 C UNL d 1 4.395 2.245 5.220 0.00 0.00 0.018 A ATOM 5 C UNL d 1 4.218 0.644 3.418 0.00 0.00 0.001 A ATOM 6 C UNL d 1 4.005 0.986 4.751 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 5.383 4.484 4.933 0.00 0.00 0.294 C ATOM 8 O UNL d 1 6.543 4.824 5.106 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 4.273 5.180 5.276 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 3.396 5.537 4.196 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 2.097 6.002 4.795 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 2.040 6.377 6.143 0.00 0.00 0.009 A ATOM 13 C UNL d 1 0.810 6.585 6.763 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -0.369 6.431 6.037 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -0.320 6.121 4.679 0.00 0.00 0.001 A ATOM 16 C UNL d 1 0.910 5.914 4.056 0.00 0.00 0.009 A ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 2 7 BRANCH 1 17 ATOM 17 C UNL d 1 6.067 3.627 2.100 0.00 0.00 0.294 C ATOM 18 O UNL d 1 5.699 4.697 1.655 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 7.154 2.911 1.741 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 8.394 3.198 2.403 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 8.682 2.050 3.365 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 9.090 2.579 4.742 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 8.227 2.023 5.860 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9