REMARK VINA RESULT: -5.0 1.707 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 -3.197 -7.112 -0.720 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 -3.300 -3.237 -4.195 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -5.895 -3.497 1.758 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -6.335 -1.055 1.174 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -6.925 -2.368 1.701 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -5.983 -1.277 -0.299 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -5.010 -3.518 0.505 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -5.127 -2.523 -0.497 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -4.180 -4.634 0.249 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -4.487 -2.716 -1.733 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -3.574 -4.843 -1.010 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -3.720 -3.868 -1.993 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -2.900 -6.119 -1.369 0.00 0.00 0.200 C ATOM 14 C UNL d 1 -3.098 -4.059 -3.308 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -2.043 -6.237 -2.582 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -2.207 -5.219 -3.544 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -1.165 -7.302 -2.890 0.00 0.00 0.083 A ATOM 18 C UNL d 1 -1.551 -5.262 -4.789 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -0.521 -7.312 -4.148 0.00 0.00 0.038 A ATOM 20 C UNL d 1 -0.711 -6.315 -5.095 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -5.104 -3.517 2.974 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -3.687 -3.749 2.781 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -3.179 -4.808 3.608 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -2.968 -4.487 4.988 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -2.038 -3.268 5.144 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -2.386 -5.725 5.673 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -2.655 -2.092 4.361 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -2.810 -2.496 2.895 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -0.719 -3.535 4.636 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -0.346 -2.691 4.317 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -1.837 -0.876 4.438 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -1.974 -0.327 3.587 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -2.215 -0.284 5.183 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 -7.417 0.031 1.330 0.00 0.00 0.184 C ATOM 35 O UNL d 1 -7.547 0.679 2.377 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -8.369 0.290 0.170 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -8.230 1.634 -0.286 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 -7.622 1.602 -1.052 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 -5.162 -0.659 1.884 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -4.771 0.142 1.486 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -3.961 -5.524 1.269 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -3.380 -6.236 0.943 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 -4.690 -1.751 -2.690 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 -4.256 -0.917 -2.394 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -0.751 -8.407 -2.206 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 0.223 -8.393 -1.184 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11