REMARK VINA RESULT: -5.0 2.493 5.081 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 15.079 6.191 -13.552 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 10.684 3.413 -13.292 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 15.836 3.347 -9.330 0.00 0.00 0.164 C ATOM 4 C UNL d 1 14.247 1.829 -8.038 0.00 0.00 0.127 C ATOM 5 C UNL d 1 15.659 2.011 -8.606 0.00 0.00 0.083 C ATOM 6 C UNL d 1 13.293 1.708 -9.229 0.00 0.00 0.088 C ATOM 7 C UNL d 1 14.622 3.680 -10.207 0.00 0.00 0.014 A ATOM 8 C UNL d 1 13.473 2.851 -10.221 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 14.703 4.731 -11.149 0.00 0.00 0.090 A ATOM 10 C UNL d 1 12.498 3.046 -11.214 0.00 0.00 0.088 A ATOM 11 C UNL d 1 13.741 4.896 -12.171 0.00 0.00 0.066 A ATOM 12 C UNL d 1 12.631 4.056 -12.187 0.00 0.00 0.066 A ATOM 13 C UNL d 1 13.934 5.839 -13.304 0.00 0.00 0.200 C ATOM 14 C UNL d 1 11.615 4.208 -13.235 0.00 0.00 0.197 C ATOM 15 C UNL d 1 12.818 6.199 -14.222 0.00 0.00 0.062 A ATOM 16 C UNL d 1 11.703 5.335 -14.193 0.00 0.00 0.032 A ATOM 17 C UNL d 1 12.811 7.254 -15.164 0.00 0.00 0.083 A ATOM 18 C UNL d 1 10.626 5.483 -15.086 0.00 0.00 0.017 A ATOM 19 C UNL d 1 11.712 7.375 -16.044 0.00 0.00 0.038 A ATOM 20 C UNL d 1 10.633 6.501 -16.020 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 16.187 4.452 -8.457 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 15.066 5.232 -7.975 0.00 0.00 0.263 C ATOM 23 O UNL d 1 15.060 6.574 -8.488 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 15.990 7.484 -7.888 0.00 0.00 0.151 C ATOM 25 C UNL d 1 15.799 7.553 -6.360 0.00 0.00 0.179 C ATOM 26 C UNL d 1 15.789 8.854 -8.539 0.00 0.00 0.042 C ATOM 27 C UNL d 1 15.937 6.126 -5.795 0.00 0.00 0.253 C ATOM 28 C UNL d 1 14.888 5.227 -6.452 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 14.508 8.080 -6.006 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 14.053 8.333 -6.832 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 15.762 6.078 -4.339 0.00 0.00 0.085 N ATOM 32 H UNL d 1 15.161 6.852 -4.048 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 15.220 5.239 -4.110 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 14.252 0.539 -7.195 0.00 0.00 0.184 C ATOM 35 O UNL d 1 13.363 -0.316 -7.302 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 15.369 0.331 -6.181 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 15.201 1.222 -5.080 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 14.244 1.417 -5.028 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 13.841 2.926 -7.220 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 14.287 3.748 -7.497 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 15.748 5.613 -11.046 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 15.518 6.294 -10.387 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 11.439 2.171 -11.220 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 11.506 1.599 -12.020 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 13.677 8.270 -15.445 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 13.854 9.413 -14.635 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11