REMARK VINA RESULT: -6.7 2.863 5.936 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 -1.489 -6.256 0.986 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -1.292 -2.857 4.925 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -5.517 -3.209 -0.001 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -6.599 -1.373 1.398 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -6.126 -1.805 0.006 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -5.351 -1.215 2.271 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -4.602 -3.434 1.209 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -4.462 -2.451 2.220 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -3.749 -4.561 1.245 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -3.433 -2.585 3.169 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -2.691 -4.670 2.175 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -2.550 -3.682 3.146 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -1.646 -5.722 2.075 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -1.461 -3.772 4.126 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -0.698 -5.992 3.192 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -0.599 -4.976 4.165 0.00 0.00 0.032 A ATOM 17 C UNL d 1 0.160 -7.110 3.314 0.00 0.00 0.083 A ATOM 18 C UNL d 1 0.339 -5.040 5.213 0.00 0.00 0.017 A ATOM 19 C UNL d 1 1.088 -7.143 4.380 0.00 0.00 0.038 A ATOM 20 C UNL d 1 1.190 -6.124 5.317 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -6.490 -4.275 -0.145 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -6.764 -4.676 -1.511 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -7.133 -6.059 -1.621 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -6.064 -7.008 -1.526 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -4.964 -6.720 -2.567 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -6.660 -8.405 -1.715 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -4.477 -5.273 -2.360 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -5.662 -4.320 -2.517 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -5.452 -6.867 -3.913 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -6.321 -6.428 -3.965 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -3.428 -4.891 -3.313 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -2.537 -4.819 -2.820 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -3.293 -5.669 -3.966 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 -7.340 -0.032 1.237 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -7.377 0.809 2.146 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -8.072 0.249 -0.068 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -8.248 1.655 -0.237 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -7.382 2.007 -0.524 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 -7.475 -2.327 1.999 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -8.406 -2.059 1.889 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -3.977 -5.574 0.349 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -4.937 -5.643 0.194 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -3.302 -1.569 4.084 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -2.767 -0.846 3.680 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 0.314 -8.261 2.599 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 1.133 -8.384 1.455 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11