REMARK VINA RESULT: -4.7 2.589 6.574 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 -0.019 -5.368 0.772 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -2.908 -2.783 4.247 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -3.647 -3.241 -2.194 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -5.784 -1.997 -1.576 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -4.556 -2.047 -2.492 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -5.281 -1.705 -0.160 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -3.471 -3.455 -0.685 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -4.173 -2.665 0.258 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -2.471 -4.335 -0.212 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -3.799 -2.718 1.612 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -2.069 -4.353 1.143 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -2.752 -3.550 2.053 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -0.867 -5.091 1.609 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -2.358 -3.553 3.467 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -0.603 -5.323 3.057 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -1.329 -4.504 3.947 0.00 0.00 0.032 A ATOM 17 C UNL d 1 0.354 -6.208 3.605 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -1.099 -4.530 5.335 0.00 0.00 0.017 A ATOM 19 C UNL d 1 0.558 -6.211 5.004 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -0.147 -5.380 5.865 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -4.036 -4.465 -2.869 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -3.345 -4.724 -4.116 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -3.623 -6.031 -4.644 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -2.951 -7.125 -4.010 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -1.423 -6.921 -4.012 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -3.344 -8.406 -4.747 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -1.119 -5.575 -3.324 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -1.836 -4.456 -4.080 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -0.889 -6.902 -5.347 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -1.031 -7.784 -5.738 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 0.318 -5.278 -3.281 0.00 0.00 0.085 N ATOM 32 H UNL d 1 0.463 -4.293 -3.510 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 0.631 -5.360 -2.309 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 -6.695 -0.864 -2.088 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -6.459 -0.263 -3.145 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -7.900 -0.457 -1.251 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -7.880 0.950 -1.018 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -8.813 1.223 -0.907 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 -6.514 -3.224 -1.572 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -6.649 -3.544 -0.661 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -1.889 -5.195 -1.108 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -1.405 -5.881 -0.613 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -4.469 -1.881 2.471 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -5.295 -1.572 2.030 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 1.191 -7.142 3.066 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 0.760 -8.344 2.465 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11