REMARK VINA RESULT: -8.1 2.562 7.032 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 -19.931 21.310 -29.371 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -15.035 20.947 -31.101 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -17.214 21.531 -25.006 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -14.731 21.151 -24.569 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -15.962 22.013 -24.270 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -14.373 21.369 -26.041 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -16.901 21.142 -26.456 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -15.575 21.161 -26.955 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -17.959 20.923 -27.369 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -15.362 21.046 -28.340 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -17.742 20.852 -28.763 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -16.434 20.898 -29.240 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -18.857 20.862 -29.746 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -16.181 20.822 -30.683 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -18.640 20.523 -31.180 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -17.300 20.562 -31.619 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -19.642 20.259 -32.142 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -16.956 20.379 -32.971 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -19.261 20.076 -33.491 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -17.940 20.143 -33.911 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -17.942 20.484 -24.314 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -18.957 20.950 -23.391 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -19.400 19.926 -22.487 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -20.298 18.949 -23.028 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -21.543 19.615 -23.646 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -20.679 17.989 -21.901 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -21.068 20.622 -24.712 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -20.151 21.651 -24.052 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -22.325 20.307 -22.657 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -23.159 20.588 -23.079 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -22.183 21.323 -25.360 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -23.013 21.250 -24.769 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -21.968 22.324 -25.369 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 -13.597 21.630 -23.643 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -13.808 21.965 -22.470 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -12.183 21.719 -24.201 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -11.810 23.085 -24.371 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -11.760 23.469 -23.472 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 -14.969 19.761 -24.344 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -15.913 19.547 -24.468 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -19.225 20.770 -26.866 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -19.827 20.544 -27.599 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -14.061 21.139 -28.773 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -14.007 20.784 -29.691 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -20.997 20.118 -32.075 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -21.921 21.132 -32.409 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11