REMARK VINA RESULT: -5.4 2.611 5.063 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 15.165 6.030 -13.591 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 9.973 5.684 -13.769 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 14.114 3.249 -9.391 0.00 0.00 0.164 C ATOM 4 C UNL d 1 11.890 2.694 -8.275 0.00 0.00 0.127 C ATOM 5 C UNL d 1 13.261 2.172 -8.717 0.00 0.00 0.083 C ATOM 6 C UNL d 1 11.099 3.019 -9.544 0.00 0.00 0.088 C ATOM 7 C UNL d 1 13.284 4.102 -10.358 0.00 0.00 0.014 A ATOM 8 C UNL d 1 11.885 3.920 -10.489 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 13.936 4.971 -11.264 0.00 0.00 0.090 A ATOM 10 C UNL d 1 11.210 4.537 -11.556 0.00 0.00 0.088 A ATOM 11 C UNL d 1 13.260 5.554 -12.359 0.00 0.00 0.066 A ATOM 12 C UNL d 1 11.890 5.344 -12.489 0.00 0.00 0.066 A ATOM 13 C UNL d 1 13.974 6.270 -13.448 0.00 0.00 0.200 C ATOM 14 C UNL d 1 11.162 5.941 -13.615 0.00 0.00 0.197 C ATOM 15 C UNL d 1 13.247 7.101 -14.448 0.00 0.00 0.062 A ATOM 16 C UNL d 1 11.857 6.872 -14.534 0.00 0.00 0.032 A ATOM 17 C UNL d 1 13.823 8.014 -15.361 0.00 0.00 0.083 A ATOM 18 C UNL d 1 11.061 7.498 -15.511 0.00 0.00 0.017 A ATOM 19 C UNL d 1 12.994 8.627 -16.328 0.00 0.00 0.038 A ATOM 20 C UNL d 1 11.632 8.373 -16.415 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 14.872 4.069 -8.465 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 14.137 5.173 -7.880 0.00 0.00 0.263 C ATOM 23 O UNL d 1 14.514 6.445 -8.431 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 15.756 6.990 -7.971 0.00 0.00 0.151 C ATOM 25 C UNL d 1 15.782 7.105 -6.434 0.00 0.00 0.179 C ATOM 26 C UNL d 1 15.943 8.355 -8.636 0.00 0.00 0.042 C ATOM 27 C UNL d 1 15.507 5.707 -5.845 0.00 0.00 0.253 C ATOM 28 C UNL d 1 14.151 5.213 -6.348 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 14.789 8.026 -5.950 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 13.955 7.533 -5.837 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 15.501 5.707 -4.377 0.00 0.00 0.085 N ATOM 32 H UNL d 1 14.657 5.238 -4.046 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 16.267 5.107 -4.055 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 11.209 1.573 -7.465 0.00 0.00 0.184 C ATOM 35 O UNL d 1 11.816 0.546 -7.131 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 9.740 1.725 -7.095 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 9.504 3.025 -6.557 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 9.910 3.658 -7.182 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 11.986 3.867 -7.467 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 12.913 4.037 -7.212 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 15.261 5.251 -11.052 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 15.376 5.537 -10.127 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 9.867 4.271 -11.672 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 9.632 3.549 -11.042 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 15.088 8.490 -15.544 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 15.726 9.408 -14.682 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11