REMARK VINA RESULT: -2.2 2.290 3.655 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_21 REMARK 2 A between atoms: O_2 and C_22 REMARK 3 A between atoms: O_3 and C_27 REMARK 4 A between atoms: O_4 and C_28 REMARK 5 A between atoms: O_5 and C_29 REMARK 6 A between atoms: O_6 and C_30 REMARK 7 A between atoms: C_9 and C_10 REMARK 8 A between atoms: C_15 and C_19 REMARK 9 A between atoms: C_16 and C_20 REMARK 10 A between atoms: C_25 and C_37 REMARK 11 A between atoms: C_26 and C_38 ROOT ATOM 1 C UNL d 1 -7.551 -3.347 6.046 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -9.965 -4.194 7.477 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -9.292 -5.111 6.622 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -11.167 -4.579 8.188 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -8.199 -2.489 6.954 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -8.163 -4.618 5.871 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -9.389 -2.908 7.593 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -9.789 -6.448 6.549 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -11.636 -5.893 8.024 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -10.952 -6.815 7.237 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -7.786 -1.073 7.288 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -6.300 -2.951 5.307 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -5.074 -2.712 5.954 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -3.931 -2.368 5.201 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -4.815 -2.844 7.436 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -3.913 -2.145 3.808 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -5.154 -2.311 3.130 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -2.713 -1.768 3.093 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -6.278 -2.795 3.895 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -5.193 -2.009 1.733 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -4.036 -1.652 1.048 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -2.814 -1.553 1.710 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -7.382 -3.183 3.159 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -7.826 -2.405 2.782 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -6.481 -1.940 0.992 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -6.852 -2.777 0.179 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -4.054 -1.329 -0.286 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -4.523 -0.474 -0.339 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -1.776 -1.193 0.886 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -1.072 -0.764 1.390 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -1.378 -1.573 3.826 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -1.288 -0.255 4.606 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -0.987 -2.802 4.653 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -7.695 -5.456 4.874 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -8.329 -6.174 4.709 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -9.033 -7.523 5.866 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -8.815 -8.629 6.347 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -11.890 -3.599 9.123 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -13.004 -4.245 9.953 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -10.908 -2.769 9.957 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -11.430 -8.100 7.215 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -11.425 -8.358 6.273 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -12.750 -6.420 8.634 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -13.158 -5.774 9.224 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11