REMARK VINA RESULT: 0.4 2.987 7.699 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 5.839 -8.323 -4.733 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 8.766 -5.649 -1.358 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 9.222 -5.991 -7.832 0.00 0.00 0.164 C ATOM 4 C UNL d 1 10.957 -4.187 -7.346 0.00 0.00 0.127 C ATOM 5 C UNL d 1 10.651 -5.502 -8.073 0.00 0.00 0.083 C ATOM 6 C UNL d 1 10.940 -4.485 -5.845 0.00 0.00 0.088 C ATOM 7 C UNL d 1 8.809 -5.828 -6.364 0.00 0.00 0.014 A ATOM 8 C UNL d 1 9.664 -5.203 -5.422 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 7.633 -6.455 -5.891 0.00 0.00 0.090 A ATOM 10 C UNL d 1 9.362 -5.299 -4.053 0.00 0.00 0.088 A ATOM 11 C UNL d 1 7.357 -6.585 -4.511 0.00 0.00 0.066 A ATOM 12 C UNL d 1 8.222 -5.988 -3.597 0.00 0.00 0.066 A ATOM 13 C UNL d 1 6.259 -7.443 -3.994 0.00 0.00 0.200 C ATOM 14 C UNL d 1 7.957 -6.105 -2.159 0.00 0.00 0.197 C ATOM 15 C UNL d 1 5.809 -7.369 -2.576 0.00 0.00 0.062 A ATOM 16 C UNL d 1 6.704 -6.740 -1.686 0.00 0.00 0.032 A ATOM 17 C UNL d 1 4.634 -7.940 -2.037 0.00 0.00 0.083 A ATOM 18 C UNL d 1 6.467 -6.700 -0.299 0.00 0.00 0.017 A ATOM 19 C UNL d 1 4.425 -7.880 -0.640 0.00 0.00 0.038 A ATOM 20 C UNL d 1 5.328 -7.278 0.227 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 8.241 -5.418 -8.734 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 7.223 -4.606 -8.097 0.00 0.00 0.263 C ATOM 23 O UNL d 1 5.890 -5.007 -8.451 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 5.435 -4.611 -9.751 0.00 0.00 0.151 C ATOM 25 C UNL d 1 5.544 -3.086 -9.941 0.00 0.00 0.179 C ATOM 26 C UNL d 1 3.991 -5.092 -9.907 0.00 0.00 0.042 C ATOM 27 C UNL d 1 7.008 -2.676 -9.689 0.00 0.00 0.253 C ATOM 28 C UNL d 1 7.406 -3.094 -8.273 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 4.689 -2.371 -9.032 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 5.206 -2.174 -8.229 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 7.221 -1.231 -9.837 0.00 0.00 0.085 N ATOM 32 H UNL d 1 7.256 -0.801 -8.911 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 8.161 -1.085 -10.218 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 12.351 -3.720 -7.806 0.00 0.00 0.184 C ATOM 35 O UNL d 1 12.744 -3.879 -8.970 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 13.280 -3.072 -6.788 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 12.914 -1.707 -6.592 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 11.998 -1.716 -6.248 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 9.999 -3.168 -7.634 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 9.421 -3.436 -8.373 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 6.742 -6.938 -6.814 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 6.447 -6.201 -7.380 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 10.261 -4.733 -3.182 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 11.115 -5.222 -3.247 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 3.561 -8.580 -2.585 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 3.302 -9.961 -2.449 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11