REMARK VINA RESULT: -5.1 2.583 8.588 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 -6.316 -3.060 0.325 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -3.309 -1.170 4.132 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -2.472 -6.478 0.476 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -0.258 -6.439 1.739 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -1.467 -7.277 1.307 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -0.767 -5.387 2.727 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -2.696 -5.075 1.055 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -1.955 -4.611 2.170 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -3.772 -4.286 0.588 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -2.361 -3.434 2.821 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -4.201 -3.126 1.272 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -3.478 -2.698 2.381 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -5.467 -2.424 0.934 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -3.901 -1.495 3.108 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -5.779 -1.070 1.473 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -5.011 -0.665 2.584 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -6.813 -0.211 1.036 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -5.272 0.536 3.268 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -7.046 0.990 1.744 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -6.297 1.363 2.852 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -2.165 -6.432 -0.941 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -2.563 -7.605 -1.693 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -1.737 -7.833 -2.846 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -1.983 -6.988 -3.977 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -3.457 -7.060 -4.420 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -1.040 -7.423 -5.100 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -4.339 -6.685 -3.213 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -4.050 -7.654 -2.066 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -3.814 -8.376 -4.877 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -3.022 -8.775 -5.283 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -5.772 -6.732 -3.527 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -6.296 -6.295 -2.768 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -5.941 -6.123 -4.333 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 0.748 -7.394 2.410 0.00 0.00 0.184 C ATOM 35 O UNL d 1 1.185 -8.397 1.830 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 1.191 -7.106 3.838 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 1.180 -8.309 4.605 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 1.954 -8.260 5.201 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 0.374 -5.785 0.639 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 1.345 -5.856 0.705 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -4.399 -4.667 -0.570 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -5.360 -4.541 -0.461 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -1.646 -3.068 3.936 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -1.550 -2.087 3.942 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -7.708 -0.261 0.007 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -8.461 0.843 -0.448 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11