REMARK VINA RESULT: -4.9 2.877 6.029 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 44.764 63.755 57.914 0.00 0.00 0.055 A ATOM 2 C UNL d 1 43.563 64.330 58.357 0.00 0.00 0.055 A ATOM 3 C UNL d 1 45.582 63.056 58.814 0.00 0.00 0.018 A ATOM 4 C UNL d 1 43.232 64.254 59.718 0.00 0.00 0.018 A ATOM 5 C UNL d 1 45.231 62.972 60.163 0.00 0.00 0.001 A ATOM 6 C UNL d 1 44.066 63.583 60.618 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 42.621 65.050 57.467 0.00 0.00 0.294 C ATOM 8 O UNL d 1 41.804 64.474 56.766 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 42.858 66.382 57.510 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 41.986 67.202 56.716 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 42.843 68.028 55.797 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 42.815 69.426 55.878 0.00 0.00 0.009 A ATOM 13 C UNL d 1 43.420 70.199 54.889 0.00 0.00 0.001 A ATOM 14 C UNL d 1 44.066 69.580 53.821 0.00 0.00 0.000 A ATOM 15 C UNL d 1 44.155 68.191 53.766 0.00 0.00 0.001 A ATOM 16 C UNL d 1 43.552 67.415 54.755 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 45.289 63.933 56.540 0.00 0.00 0.294 C ATOM 18 O UNL d 1 45.583 65.010 56.059 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 45.222 62.737 55.915 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 46.065 62.530 54.773 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 47.474 62.247 55.284 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 48.519 62.989 54.448 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 48.694 64.433 54.880 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9