REMARK VINA RESULT: -3.1 2.926 8.653 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 -6.566 -3.720 3.112 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -2.260 -1.732 5.260 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -3.762 -2.475 -1.019 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -1.591 -1.155 -1.222 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -2.388 -2.380 -1.685 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -1.247 -1.370 0.254 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -3.690 -2.145 0.476 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -2.481 -1.717 1.079 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -4.794 -2.428 1.313 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -2.393 -1.670 2.481 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -4.687 -2.420 2.722 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -3.484 -2.023 3.299 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -5.761 -2.944 3.606 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -3.347 -2.002 4.760 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -5.757 -2.693 5.075 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -4.525 -2.273 5.618 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -6.829 -2.919 5.969 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -4.340 -2.110 7.003 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -6.611 -2.743 7.354 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -5.384 -2.354 7.875 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -4.798 -1.712 -1.689 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -5.384 -2.358 -2.847 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -6.785 -2.630 -2.682 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -7.119 -3.749 -1.853 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -6.434 -5.038 -2.349 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -8.642 -3.891 -1.849 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -4.915 -4.784 -2.399 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -4.637 -3.605 -3.333 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -6.894 -5.416 -3.659 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -6.977 -4.604 -4.192 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -4.165 -5.954 -2.871 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -4.819 -6.710 -3.079 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -3.751 -5.722 -3.780 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 -0.317 -1.081 -2.085 0.00 0.00 0.184 C ATOM 35 O UNL d 1 0.575 -1.938 -2.011 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -0.141 0.097 -3.034 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -0.164 1.321 -2.302 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 0.009 2.032 -2.951 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 -2.326 0.061 -1.362 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -2.522 0.241 -2.300 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -5.999 -2.709 0.721 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -5.880 -2.700 -0.247 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -1.177 -1.313 3.011 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -0.744 -0.670 2.403 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -8.132 -3.288 5.802 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -8.839 -4.135 6.682 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11