REMARK VINA RESULT: -2.6 2.039 3.400 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 -0.097 15.877 -17.950 0.00 0.00 0.017 A ATOM 2 C UNL d 1 2.726 15.273 -17.434 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 2.103 14.783 -18.616 0.00 0.00 0.025 A ATOM 4 C UNL d 1 4.114 14.980 -17.145 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 0.569 16.405 -16.829 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 0.691 15.030 -18.779 0.00 0.00 0.089 A ATOM 7 C UNL d 1 1.916 16.057 -16.580 0.00 0.00 0.020 A ATOM 8 C UNL d 1 2.910 14.065 -19.550 0.00 0.00 0.051 A ATOM 9 C UNL d 1 4.834 14.217 -18.078 0.00 0.00 0.107 A ATOM 10 C UNL d 1 4.251 13.784 -19.266 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -0.045 17.291 -15.767 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -1.540 16.180 -18.256 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -1.933 17.125 -19.221 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -3.304 17.345 -19.478 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -1.008 17.931 -20.100 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -4.369 16.748 -18.772 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -4.004 15.837 -17.739 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -5.757 17.033 -19.064 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -2.605 15.522 -17.584 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -5.055 15.279 -16.945 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -6.389 15.552 -17.232 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -6.735 16.397 -18.285 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -2.318 14.455 -16.754 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -3.135 14.104 -16.362 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -4.762 14.498 -15.714 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -4.834 13.277 -15.641 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -7.412 15.053 -16.467 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -7.929 14.480 -17.066 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -8.092 16.556 -18.431 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -8.313 17.484 -18.585 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -6.150 18.028 -20.166 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -5.102 18.167 -21.277 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -7.569 17.780 -20.689 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 0.074 14.333 -19.803 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -0.401 14.944 -20.391 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 2.411 13.711 -20.900 0.00 0.00 0.273 C ATOM 37 O UNL d 1 2.037 12.592 -21.229 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 4.795 15.518 -15.878 0.00 0.00 0.014 C ATOM 39 C UNL d 1 5.104 17.018 -15.932 0.00 0.00 0.015 C ATOM 40 C UNL d 1 4.060 15.090 -14.603 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 5.059 13.130 -20.160 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 5.826 12.826 -19.636 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 6.158 13.863 -17.962 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 6.693 14.308 -18.633 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11