REMARK VINA RESULT: -4.7 1.627 2.051 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 45.056 66.433 53.793 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 40.301 68.326 54.746 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 43.119 62.934 57.031 0.00 0.00 0.164 C ATOM 4 C UNL d 1 40.974 62.947 58.408 0.00 0.00 0.127 C ATOM 5 C UNL d 1 41.911 62.128 57.514 0.00 0.00 0.083 C ATOM 6 C UNL d 1 40.341 64.029 57.530 0.00 0.00 0.088 C ATOM 7 C UNL d 1 42.718 64.352 56.605 0.00 0.00 0.014 A ATOM 8 C UNL d 1 41.390 64.820 56.758 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 43.636 65.156 55.890 0.00 0.00 0.090 A ATOM 10 C UNL d 1 41.009 66.018 56.130 0.00 0.00 0.088 A ATOM 11 C UNL d 1 43.236 66.337 55.226 0.00 0.00 0.066 A ATOM 12 C UNL d 1 41.921 66.770 55.364 0.00 0.00 0.066 A ATOM 13 C UNL d 1 44.126 67.061 54.280 0.00 0.00 0.200 C ATOM 14 C UNL d 1 41.480 67.996 54.688 0.00 0.00 0.197 C ATOM 15 C UNL d 1 43.803 68.431 53.793 0.00 0.00 0.062 A ATOM 16 C UNL d 1 42.465 68.840 53.970 0.00 0.00 0.032 A ATOM 17 C UNL d 1 44.675 69.305 53.104 0.00 0.00 0.083 A ATOM 18 C UNL d 1 41.987 70.059 53.457 0.00 0.00 0.017 A ATOM 19 C UNL d 1 44.162 70.524 52.603 0.00 0.00 0.038 A ATOM 20 C UNL d 1 42.836 70.901 52.764 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 44.232 62.946 57.961 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 45.011 61.725 58.002 0.00 0.00 0.263 C ATOM 23 O UNL d 1 44.470 60.751 58.909 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 44.707 60.984 60.302 0.00 0.00 0.151 C ATOM 25 C UNL d 1 46.213 61.131 60.598 0.00 0.00 0.179 C ATOM 26 C UNL d 1 44.096 59.818 61.082 0.00 0.00 0.042 C ATOM 27 C UNL d 1 46.764 62.269 59.716 0.00 0.00 0.253 C ATOM 28 C UNL d 1 46.511 61.929 58.247 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 46.934 59.919 60.312 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 47.769 60.166 59.872 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 48.202 62.487 59.915 0.00 0.00 0.085 N ATOM 32 H UNL d 1 48.500 63.286 59.354 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 48.348 62.790 60.883 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 39.906 61.983 58.962 0.00 0.00 0.184 C ATOM 35 O UNL d 1 39.987 60.758 58.804 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 38.706 62.563 59.697 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 38.928 62.521 61.105 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 38.057 62.668 61.525 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 41.659 63.567 59.497 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 41.367 63.192 60.348 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 44.951 64.767 55.860 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 45.017 63.864 56.221 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 39.692 66.389 56.257 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 39.655 67.324 56.568 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 46.000 69.256 52.787 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 46.674 70.234 52.024 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11