REMARK VINA RESULT: -2.5 3.299 8.498 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 -0.808 -20.134 4.115 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 1.370 -20.010 8.842 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -0.643 -15.087 5.107 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -0.059 -13.829 7.246 0.00 0.00 0.127 C ATOM 5 C UNL d 1 0.100 -13.901 5.723 0.00 0.00 0.083 C ATOM 6 C UNL d 1 0.670 -15.039 7.835 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -0.468 -16.360 5.944 0.00 0.00 0.014 A ATOM 8 C UNL d 1 0.232 -16.342 7.177 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -0.855 -17.611 5.411 0.00 0.00 0.090 A ATOM 10 C UNL d 1 0.588 -17.560 7.781 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -0.458 -18.832 6.001 0.00 0.00 0.066 A ATOM 12 C UNL d 1 0.252 -18.797 7.198 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -0.652 -20.144 5.328 0.00 0.00 0.200 C ATOM 14 C UNL d 1 0.674 -20.050 7.834 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -0.476 -21.431 6.057 0.00 0.00 0.062 A ATOM 16 C UNL d 1 0.231 -21.350 7.275 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -0.867 -22.712 5.605 0.00 0.00 0.083 A ATOM 18 C UNL d 1 0.573 -22.497 8.013 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -0.510 -23.844 6.373 0.00 0.00 0.038 A ATOM 20 C UNL d 1 0.208 -23.750 7.557 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -2.040 -14.824 4.817 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -2.984 -15.450 5.721 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -3.869 -16.365 5.056 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -4.936 -15.777 4.302 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -5.787 -14.835 5.178 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -5.780 -16.913 3.721 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -4.852 -13.773 5.787 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -3.768 -14.474 6.606 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -6.450 -15.547 6.238 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -5.843 -15.578 7.001 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -5.566 -12.825 6.652 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -5.375 -11.874 6.334 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -6.571 -12.947 6.496 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 0.583 -12.509 7.715 0.00 0.00 0.184 C ATOM 35 O UNL d 1 1.366 -11.872 6.998 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 0.265 -11.995 9.112 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -1.125 -11.693 9.217 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -1.197 -10.718 9.181 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 -1.427 -13.859 7.655 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -1.924 -14.530 7.150 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -1.648 -17.620 4.292 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -1.909 -16.703 4.088 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 1.323 -17.482 8.939 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 2.281 -17.461 8.705 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -1.570 -23.155 4.523 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -0.983 -23.663 3.345 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11