REMARK VINA RESULT: -2.1 2.283 5.065 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 2.351 14.885 -15.848 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 1.269 16.387 -20.714 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -2.794 14.824 -15.888 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -4.456 15.659 -17.632 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -4.091 14.542 -16.648 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -3.397 15.651 -18.737 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -1.712 15.399 -16.811 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -1.983 15.694 -18.170 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -0.375 15.480 -16.360 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -0.913 15.974 -19.037 0.00 0.00 0.088 A ATOM 11 C UNL d 1 0.701 15.721 -17.244 0.00 0.00 0.066 A ATOM 12 C UNL d 1 0.420 15.983 -18.583 0.00 0.00 0.066 A ATOM 13 C UNL d 1 2.121 15.574 -16.832 0.00 0.00 0.200 C ATOM 14 C UNL d 1 1.517 16.239 -19.522 0.00 0.00 0.197 C ATOM 15 C UNL d 1 3.238 16.078 -17.679 0.00 0.00 0.062 A ATOM 16 C UNL d 1 2.908 16.351 -19.023 0.00 0.00 0.032 A ATOM 17 C UNL d 1 4.590 16.220 -17.289 0.00 0.00 0.083 A ATOM 18 C UNL d 1 3.884 16.722 -19.967 0.00 0.00 0.017 A ATOM 19 C UNL d 1 5.544 16.597 -18.262 0.00 0.00 0.038 A ATOM 20 C UNL d 1 5.207 16.838 -19.587 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -2.971 15.635 -14.698 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -4.114 15.284 -13.880 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -5.344 15.837 -14.375 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -5.556 17.232 -14.124 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -5.457 17.551 -12.619 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -6.929 17.604 -14.685 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -4.080 17.073 -12.118 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -3.946 15.573 -12.383 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -6.490 16.893 -11.865 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -6.060 16.378 -11.157 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -3.886 17.323 -10.685 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -3.415 16.520 -10.266 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -3.214 18.090 -10.583 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 -5.853 15.338 -18.197 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -6.880 15.850 -17.732 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -5.970 14.338 -19.339 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -6.343 13.058 -18.833 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -5.800 12.403 -19.316 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 -4.481 16.945 -17.013 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -3.671 17.094 -16.491 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -0.134 15.328 -15.018 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 0.043 14.386 -14.838 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -1.229 16.187 -20.357 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -2.179 16.443 -20.418 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 5.247 16.077 -16.103 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 5.349 17.087 -15.122 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11