REMARK VINA RESULT: -4.2 2.680 8.001 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 0.360 -9.111 5.600 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 3.592 -5.257 4.257 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -2.453 -4.924 6.622 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -1.816 -2.456 6.647 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -2.862 -3.501 6.241 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -0.574 -2.702 5.787 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -0.971 -5.186 6.324 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -0.123 -4.157 5.843 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -0.469 -6.507 6.361 0.00 0.00 0.090 A ATOM 10 C UNL d 1 1.148 -4.493 5.346 0.00 0.00 0.088 A ATOM 11 C UNL d 1 0.792 -6.844 5.821 0.00 0.00 0.066 A ATOM 12 C UNL d 1 1.603 -5.825 5.328 0.00 0.00 0.066 A ATOM 13 C UNL d 1 1.230 -8.253 5.636 0.00 0.00 0.200 C ATOM 14 C UNL d 1 2.919 -6.148 4.764 0.00 0.00 0.197 C ATOM 15 C UNL d 1 2.644 -8.597 5.318 0.00 0.00 0.062 A ATOM 16 C UNL d 1 3.438 -7.533 4.842 0.00 0.00 0.032 A ATOM 17 C UNL d 1 3.226 -9.885 5.366 0.00 0.00 0.083 A ATOM 18 C UNL d 1 4.756 -7.734 4.392 0.00 0.00 0.017 A ATOM 19 C UNL d 1 4.554 -10.051 4.910 0.00 0.00 0.038 A ATOM 20 C UNL d 1 5.314 -8.998 4.419 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -2.801 -5.296 7.981 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -4.067 -5.986 8.122 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -5.105 -5.141 8.645 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -5.058 -4.878 10.052 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -5.048 -6.187 10.867 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -6.266 -4.009 10.406 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -3.852 -7.035 10.394 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -3.995 -7.308 8.896 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -6.262 -6.937 10.687 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -6.610 -7.157 11.571 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -3.755 -8.316 11.105 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -4.045 -9.069 10.479 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -2.765 -8.506 11.286 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 -2.420 -1.066 6.367 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -3.526 -0.732 6.814 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -1.644 -0.092 5.491 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -2.520 0.517 4.544 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -3.088 1.130 5.051 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 -1.460 -2.547 8.026 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -2.255 -2.637 8.584 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -1.240 -7.475 6.952 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -0.845 -7.708 7.812 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 1.900 -3.464 4.831 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 2.310 -2.969 5.578 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 2.781 -11.104 5.787 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 3.067 -11.663 7.051 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11