REMARK VINA RESULT: -1.7 2.376 4.635 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 -2.081 -14.340 7.505 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -4.621 -15.411 3.089 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 0.724 -18.181 5.537 0.00 0.00 0.164 C ATOM 4 C UNL d 1 0.284 -19.715 3.550 0.00 0.00 0.127 C ATOM 5 C UNL d 1 1.314 -18.869 4.305 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -0.742 -18.751 2.950 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -0.664 -17.597 5.247 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -1.300 -17.793 3.997 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -1.258 -16.705 6.170 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -2.444 -17.038 3.683 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -2.382 -15.918 5.834 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -2.980 -16.103 4.590 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -2.870 -14.811 6.698 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -4.151 -15.302 4.216 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -4.194 -14.167 6.473 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -4.776 -14.396 5.209 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -4.865 -13.294 7.360 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -5.966 -13.759 4.813 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -6.061 -12.674 6.932 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -6.607 -12.889 5.674 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 0.721 -19.005 6.731 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -0.079 -20.210 6.643 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -1.384 -20.055 7.224 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -1.446 -20.083 8.655 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -0.820 -21.374 9.217 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -2.914 -19.951 9.062 0.00 0.00 0.042 C ATOM 27 C UNL d 1 0.627 -21.471 8.697 0.00 0.00 0.253 C ATOM 28 C UNL d 1 0.608 -21.476 7.168 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -1.550 -22.544 8.807 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -1.007 -23.325 9.025 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 1.315 -22.678 9.170 0.00 0.00 0.085 N ATOM 32 H UNL d 1 2.181 -22.408 9.639 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 0.747 -23.099 9.911 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 1.037 -20.483 2.446 0.00 0.00 0.184 C ATOM 35 O UNL d 1 1.356 -19.946 1.377 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 1.370 -21.951 2.672 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 0.170 -22.714 2.778 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 0.173 -23.336 2.023 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 -0.387 -20.647 4.399 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -0.267 -21.559 4.074 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -0.718 -16.621 7.428 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -1.153 -15.892 7.907 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -2.979 -17.221 2.431 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -2.410 -16.757 1.773 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -4.621 -12.879 8.637 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -4.237 -11.566 8.987 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11