REMARK VINA RESULT: -3.7 2.600 3.945 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 -3.140 -17.961 7.637 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -4.105 -20.717 7.890 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -3.062 -20.415 6.970 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -4.612 -22.067 8.028 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -4.119 -18.306 8.587 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -2.686 -19.031 6.817 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -4.600 -19.633 8.652 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -2.473 -21.497 6.247 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -4.027 -23.074 7.243 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -2.966 -22.799 6.384 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -4.801 -17.355 9.546 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -2.608 -16.559 7.491 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -1.323 -16.182 7.919 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -0.874 -14.856 7.732 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -0.292 -17.096 8.538 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -1.653 -13.801 7.211 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -2.985 -14.134 6.831 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -1.146 -12.454 7.066 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -3.379 -15.520 6.903 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -3.831 -13.072 6.382 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -3.338 -11.778 6.239 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -2.015 -11.478 6.555 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -4.578 -15.836 6.293 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -4.744 -15.236 5.546 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -5.289 -13.280 6.176 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -5.795 -13.586 5.103 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -4.138 -10.738 5.838 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -4.380 -10.266 6.659 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -1.694 -10.158 6.354 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -2.283 -9.758 5.700 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 0.285 -12.092 7.491 0.00 0.00 0.014 C ATOM 32 C UNL d 1 1.187 -11.665 6.327 0.00 0.00 0.015 C ATOM 33 C UNL d 1 0.307 -11.118 8.673 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -1.855 -18.750 5.747 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -1.702 -19.551 5.218 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -1.243 -21.315 5.441 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -1.230 -21.123 4.231 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -5.728 -22.401 9.028 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -7.137 -22.320 8.431 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -5.456 -23.708 9.780 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -2.395 -23.862 5.732 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -3.133 -24.302 5.266 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -4.381 -24.402 7.262 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -5.066 -24.585 6.606 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11