REMARK VINA RESULT: -5.9 0.000 0.000 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 -4.221 -4.129 -0.313 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -5.442 -2.196 1.522 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -5.701 -2.106 0.126 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -6.020 -1.248 2.452 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -4.044 -4.233 1.079 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -5.005 -3.023 -0.744 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -4.605 -3.258 1.935 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -6.614 -1.103 -0.323 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -6.863 -0.250 1.936 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -7.170 -0.189 0.579 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -3.222 -5.282 1.794 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -3.624 -5.113 -1.284 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -4.391 -6.080 -1.959 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -3.774 -6.959 -2.876 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -5.886 -6.256 -1.853 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -2.387 -7.025 -3.131 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -1.573 -6.105 -2.410 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -1.809 -7.967 -4.065 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -2.235 -5.126 -1.583 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -0.156 -6.203 -2.577 0.00 0.00 0.051 A ATOM 21 C UNL d 1 0.396 -7.106 -3.480 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -0.415 -7.958 -4.226 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -1.436 -4.103 -1.108 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -1.478 -4.066 -0.138 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 0.779 -5.440 -1.708 0.00 0.00 0.273 C ATOM 26 O UNL d 1 1.437 -4.478 -2.083 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 1.753 -7.237 -3.636 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 2.103 -6.325 -3.643 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 0.290 -8.782 -5.068 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 0.697 -8.274 -5.783 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -2.686 -8.970 -4.829 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -4.172 -8.905 -4.453 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -2.433 -8.924 -6.339 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -5.087 -2.746 -2.097 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -5.460 -1.860 -2.240 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -7.114 -1.074 -1.718 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -6.671 -0.345 -2.597 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -5.755 -1.349 3.961 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -6.342 -2.609 4.607 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -4.281 -1.114 4.304 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -8.078 0.759 0.182 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -7.555 1.424 -0.306 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -7.499 0.716 2.680 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -7.048 0.853 3.524 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11