REMARK VINA RESULT: 29.9 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_19 REMARK 2 A between atoms: C_13 and O_1 REMARK 3 A between atoms: C_14 and O_3 REMARK 4 A between atoms: O_4 and C_22 REMARK 5 A between atoms: O_5 and C_24 REMARK 6 A between atoms: O_6 and C_26 REMARK 7 A between atoms: O_8 and C_30 REMARK 8 A between atoms: O_11 and C_35 REMARK 9 A between atoms: N_12 and C_21 REMARK 10 A between atoms: C_14 and C_25 REMARK 11 A between atoms: C_25 and C_30 ROOT ATOM 1 O UNL d 1 6.401 -7.174 10.585 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 4.254 -2.636 9.206 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 4.345 -5.551 15.014 0.00 0.00 0.164 C ATOM 4 C UNL d 1 3.296 -3.314 15.642 0.00 0.00 0.127 C ATOM 5 C UNL d 1 3.202 -4.841 15.741 0.00 0.00 0.083 C ATOM 6 C UNL d 1 3.062 -2.940 14.177 0.00 0.00 0.088 C ATOM 7 C UNL d 1 4.644 -4.900 13.658 0.00 0.00 0.014 A ATOM 8 C UNL d 1 3.967 -3.729 13.237 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 5.480 -5.563 12.730 0.00 0.00 0.090 A ATOM 10 C UNL d 1 4.081 -3.314 11.899 0.00 0.00 0.088 A ATOM 11 C UNL d 1 5.558 -5.165 11.376 0.00 0.00 0.066 A ATOM 12 C UNL d 1 4.865 -4.027 10.972 0.00 0.00 0.066 A ATOM 13 C UNL d 1 6.239 -5.987 10.341 0.00 0.00 0.200 C ATOM 14 C UNL d 1 4.932 -3.590 9.573 0.00 0.00 0.197 C ATOM 15 C UNL d 1 6.545 -5.445 8.988 0.00 0.00 0.062 A ATOM 16 C UNL d 1 5.838 -4.280 8.624 0.00 0.00 0.032 A ATOM 17 C UNL d 1 7.394 -6.030 8.020 0.00 0.00 0.083 A ATOM 18 C UNL d 1 5.937 -3.722 7.336 0.00 0.00 0.017 A ATOM 19 C UNL d 1 7.473 -5.443 6.737 0.00 0.00 0.038 A ATOM 20 C UNL d 1 6.751 -4.310 6.387 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 5.547 -5.706 15.812 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 5.432 -6.631 16.921 0.00 0.00 0.263 C ATOM 23 O UNL d 1 6.703 -7.150 17.347 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 7.279 -8.167 16.520 0.00 0.00 0.151 C ATOM 25 C UNL d 1 6.313 -9.354 16.336 0.00 0.00 0.179 C ATOM 26 C UNL d 1 8.591 -8.611 17.170 0.00 0.00 0.042 C ATOM 27 C UNL d 1 4.993 -8.811 15.754 0.00 0.00 0.253 C ATOM 28 C UNL d 1 4.421 -7.764 16.709 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 6.042 -10.021 17.582 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 5.479 -9.432 18.118 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 3.994 -9.866 15.547 0.00 0.00 0.085 N ATOM 32 H UNL d 1 3.652 -9.819 14.586 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 4.471 -10.772 15.601 0.00 0.00 0.313 HD ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 4 34 ATOM 34 C UNL d 1 2.199 -2.725 16.550 0.00 0.00 0.184 C ATOM 35 O UNL d 1 1.822 -3.302 17.579 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 1.543 -1.411 16.148 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 2.406 -0.680 15.278 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 2.185 -0.966 14.369 0.00 0.00 0.209 HD ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 4 34 BRANCH 4 39 ATOM 39 O UNL d 1 4.569 -2.818 16.057 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 4.524 -1.861 16.242 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 6.238 -6.614 13.177 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 6.343 -6.535 14.143 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 3.350 -2.210 11.532 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 3.272 -2.195 10.549 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 8.230 -7.108 8.031 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 9.466 -7.150 8.712 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11